8,8-dimethyl-3-(1-pyridin-2-ylethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;3-hydroxy-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;2-propan-2-ylpyridine

C43H50N6O4 — CID 159097105

IUPAC8,8-dimethyl-3-(1-pyridin-2-ylethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;3-hydroxy-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;2-propan-2-ylpyridine
SMILESCC(C)c1ccccn1.CC(Oc1ccc2c(=O)n3c(nc2c1)CCC(C)(C)C3)c1ccccn1.CC1(C)CCc2nc3cc(O)ccc3c(=O)n2C1
InChIInChI=1S/C21H23N3O2.C14H16N2O2.C8H11N/c1-14(17-6-4-5-11-22-17)26-15-7-8-16-18(12-15)23-19-9-10-21(2,3)13-24(19)20(16)25;1-14(2)6-5-12-15-11-7-9(17)3-4-10(11)13(18)16(12)8-14;1-7(2)8-5-3-4-6-9-8/h4-8,11-12,14H,9-10,13H2,1-3H3;3-4,7,17H,5-6,8H2,1-2H3;3-7H,1-2H3
InChIKeyKCUPFXDKBCVMKS-UHFFFAOYSA-N
MW714.91 g/mol
LogP8.18
Rot. Bonds4

About 8,8-dimethyl-3-(1-pyridin-2-ylethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;3-hydroxy-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;2-propan-2-ylpyridine

8,8-dimethyl-3-(1-pyridin-2-ylethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;3-hydroxy-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;2-propan-2-ylpyridine (PubChem CID 159097105) has the molecular formula C43H50N6O4 and a molecular weight of 714.91 g/mol. Its IUPAC name is 8,8-dimethyl-3-(1-pyridin-2-ylethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;3-hydroxy-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;2-propan-2-ylpyridine.

Molecular Properties

Compound Name8,8-dimethyl-3-(1-pyridin-2-ylethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;3-hydroxy-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;2-propan-2-ylpyridine
PubChem CID159097105
Molecular FormulaC43H50N6O4
Molecular Weight714.91 g/mol
Exact Mass714.39
IUPAC Name8,8-dimethyl-3-(1-pyridin-2-ylethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;3-hydroxy-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;2-propan-2-ylpyridine
SMILESCC(C)c1ccccn1.CC(Oc1ccc2c(=O)n3c(nc2c1)CCC(C)(C)C3)c1ccccn1.CC1(C)CCc2nc3cc(O)ccc3c(=O)n2C1
InChIInChI=1S/C21H23N3O2.C14H16N2O2.C8H11N/c1-14(17-6-4-5-11-22-17)26-15-7-8-16-18(12-15)23-19-9-10-21(2,3)13-24(19)20(16)25;1-14(2)6-5-12-15-11-7-9(17)3-4-10(11)13(18)16(12)8-14;1-7(2)8-5-3-4-6-9-8/h4-8,11-12,14H,9-10,13H2,1-3H3;3-4,7,17H,5-6,8H2,1-2H3;3-7H,1-2H3
InChIKeyKCUPFXDKBCVMKS-UHFFFAOYSA-N
XLogP8.18
TPSA125.02 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.91
LogP ≤ 58.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 8,8-dimethyl-3-(1-pyridin-2-ylethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;3-hydroxy-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;2-propan-2-ylpyridine with MolForge

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Related Compounds

Sco-267
CID 90479828
3-Cyclopropyl-3-[2-[(1-[2-[(2,2-dimethylpropyl)(6-methylpyridin-2-yl)carbamoyl]-5-methoxyphenyl]piperidin-4-yl)methoxy]pyridin-4-yl]propanoic acid
CID 121294846
(3R)-3-cyclopropyl-3-[2-[[1-[2-[2,2-dimethylpropyl-(6-methyl-2-pyridinyl)carbamoyl]-5-methoxyphenyl]piperidin-4-yl]methoxy]-4-pyridinyl]propanoic acid
CID 162675949
4-fluoro-N-[2-[4-[4-hydroxy-4-[[4-oxo-7-(2-piperazin-1-ylethoxy)quinazolin-3-yl]methyl]piperidine-1-carbonyl]-3-phenylpiperidin-1-yl]ethyl]quinoline-7-carboxamide
CID 166488467
4-chloro-N-[2-[4-[4-hydroxy-4-[[4-oxo-7-(2-piperazin-1-ylethoxy)quinazolin-3-yl]methyl]piperidine-1-carbonyl]-3-phenylpiperidin-1-yl]ethyl]-3-propan-2-ylquinoline-7-carboxamide
CID 166488410
3-[2-(Quinolin-4-ylamino)ethyl]-7-[[1-[2-(quinolin-4-ylamino)ethyl]piperidin-4-yl]methoxy]quinazolin-4-one
CID 117976053
3-Cyclopropyl-3-[2-[[1-[2-[(2-fluoro-2-methylpropyl)-(6-methyl-2-pyridinyl)carbamoyl]-5-methoxyphenyl]piperidin-4-yl]methoxy]-4-pyridinyl]propanoic acid
CID 121294242
3-Cyclopropyl-3-[2-[[1-[2-[2,2-dimethylpropyl-(3-fluoro-6-methyl-2-pyridinyl)carbamoyl]-5-methoxyphenyl]piperidin-4-yl]methoxy]-4-pyridinyl]propanoic acid
CID 121294340
3-Cyclopropyl-3-[2-[[1-[2-[2,2-dimethylpropyl-(6-methyl-2-pyridinyl)carbamoyl]-5-methoxyphenyl]piperidin-4-yl]methoxy]-5-fluoro-4-pyridinyl]propanoic acid
CID 121294510
3-Cyclopropyl-3-[2-[[1-[6-[2,2-dimethylpropyl-(6-methyl-2-pyridinyl)carbamoyl]-2-fluoro-3-methoxyphenyl]piperidin-4-yl]methoxy]-4-pyridinyl]propanoic acid
CID 121294570
3-Cyclopropyl-3-[2-[[1-[5-methoxy-2-[pyridin-2-yl-(3,3,3-trifluoro-2-methoxypropyl)carbamoyl]phenyl]piperidin-4-yl]methoxy]pyridin-4-yl]propanoic acid
CID 121294632
3-Cyclopropyl-3-[2-[[1-[2-[2,2-dimethylpropyl-(6-methyl-2-pyridinyl)carbamoyl]-4-fluoro-5-methoxyphenyl]piperidin-4-yl]methoxy]-4-pyridinyl]propanoic acid
CID 121294688

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-3-(1-pyridin-2-ylethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;3-hydroxy-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;2-propan-2-ylpyridine?
The IUPAC name of 8,8-dimethyl-3-(1-pyridin-2-ylethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;3-hydroxy-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;2-propan-2-ylpyridine (CID 159097105) is 8,8-dimethyl-3-(1-pyridin-2-ylethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;3-hydroxy-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;2-propan-2-ylpyridine.
What is the SMILES notation for 8,8-dimethyl-3-(1-pyridin-2-ylethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;3-hydroxy-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;2-propan-2-ylpyridine?
The canonical SMILES for 8,8-dimethyl-3-(1-pyridin-2-ylethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;3-hydroxy-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;2-propan-2-ylpyridine is CC(C)c1ccccn1.CC(Oc1ccc2c(=O)n3c(nc2c1)CCC(C)(C)C3)c1ccccn1.CC1(C)CCc2nc3cc(O)ccc3c(=O)n2C1.
What is the InChIKey of 8,8-dimethyl-3-(1-pyridin-2-ylethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;3-hydroxy-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;2-propan-2-ylpyridine?
The InChIKey is KCUPFXDKBCVMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2.C14H16N2O2.C8H11N/c1-14(17-6-4-5-11-22-17)26-15-7-8-16-18(12-15)23-19-9-10-21(2,3)13-24(19)20(16)25;1-14(2)6-5-12-15-11-7-9(17)3-4-10(11)13(18)16(12)8-14;1-7(2)8-5-3-4-6-9-8/h4-8,11-12,14H,9-10,13H2,1-3H3;3-4,7,17H,5-6,8H2,1-2H3;3-7H,1-2H3.
What are the key properties of 8,8-dimethyl-3-(1-pyridin-2-ylethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;3-hydroxy-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;2-propan-2-ylpyridine?
8,8-dimethyl-3-(1-pyridin-2-ylethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;3-hydroxy-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;2-propan-2-ylpyridine has a molecular weight of 714.91 g/mol, XLogP of 8.18, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-3-(1-pyridin-2-ylethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;3-hydroxy-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;2-propan-2-ylpyridine is sourced from PubChem (CID 159097105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).