(5S)-2,7-dimethyl-5-(2-phenylmethoxynaphthalen-1-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline

C29H25N3O — CID 136695696

IUPAC(5S)-2,7-dimethyl-5-(2-phenylmethoxynaphthalen-1-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline
SMILESCc1cc2n(n1)[C@@H](c1c(OCc3ccccc3)ccc3ccccc13)Nc1c(C)cccc1-2
InChIInChI=1S/C29H25N3O/c1-19-9-8-14-24-25-17-20(2)31-32(25)29(30-28(19)24)27-23-13-7-6-12-22(23)15-16-26(27)33-18-21-10-4-3-5-11-21/h3-17,29-30H,18H2,1-2H3/t29-/m0/s1
InChIKeyYBJOEBRVPHPGLH-LJAQVGFWSA-N
MW431.54 g/mol
LogP6.87
Rot. Bonds4

About (5S)-2,7-dimethyl-5-(2-phenylmethoxynaphthalen-1-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline

(5S)-2,7-dimethyl-5-(2-phenylmethoxynaphthalen-1-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline (PubChem CID 136695696) has the molecular formula C29H25N3O and a molecular weight of 431.54 g/mol. Its IUPAC name is (5S)-2,7-dimethyl-5-(2-phenylmethoxynaphthalen-1-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name(5S)-2,7-dimethyl-5-(2-phenylmethoxynaphthalen-1-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline
PubChem CID136695696
Molecular FormulaC29H25N3O
Molecular Weight431.54 g/mol
Exact Mass431.20
IUPAC Name(5S)-2,7-dimethyl-5-(2-phenylmethoxynaphthalen-1-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline
SMILESCc1cc2n(n1)[C@@H](c1c(OCc3ccccc3)ccc3ccccc13)Nc1c(C)cccc1-2
InChIInChI=1S/C29H25N3O/c1-19-9-8-14-24-25-17-20(2)31-32(25)29(30-28(19)24)27-23-13-7-6-12-22(23)15-16-26(27)33-18-21-10-4-3-5-11-21/h3-17,29-30H,18H2,1-2H3/t29-/m0/s1
InChIKeyYBJOEBRVPHPGLH-LJAQVGFWSA-N
XLogP6.87
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.54
LogP ≤ 56.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-butoxynaphthalen-1-yl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 3901500
2,9-dimethyl-5-(2-propoxynaphthalen-1-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 5173334
3-[(5S)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol
CID 1095775
(5R)-2,7-dimethyl-5-thiophen-2-yl-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 1095762
(5S)-5-(1,3-diphenylpyrazol-4-yl)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 136877867
5-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 3589959
5-(diethylamino)-2-[(5S)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol
CID 135814136
3-(3-methoxypropyl)-2-(2-phenylmethoxynaphthalen-1-yl)-1,2-dihydroquinazolin-4-one
CID 54780148
2-methoxy-6-[(5R)-2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol
CID 1095727
2,7,9-trimethyl-5-[4-[(4-nitrophenyl)methoxy]phenyl]-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 4681939
3-methoxy-4-[(5S)-2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol
CID 848146
1-[6-methyl-4-(2-phenylmethoxynaphthalen-1-yl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone
CID 110529568

Frequently Asked Questions

What is the IUPAC name of (5S)-2,7-dimethyl-5-(2-phenylmethoxynaphthalen-1-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline?
The IUPAC name of (5S)-2,7-dimethyl-5-(2-phenylmethoxynaphthalen-1-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline (CID 136695696) is (5S)-2,7-dimethyl-5-(2-phenylmethoxynaphthalen-1-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline.
What is the SMILES notation for (5S)-2,7-dimethyl-5-(2-phenylmethoxynaphthalen-1-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline?
The canonical SMILES for (5S)-2,7-dimethyl-5-(2-phenylmethoxynaphthalen-1-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline is Cc1cc2n(n1)[C@@H](c1c(OCc3ccccc3)ccc3ccccc13)Nc1c(C)cccc1-2.
What is the InChIKey of (5S)-2,7-dimethyl-5-(2-phenylmethoxynaphthalen-1-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline?
The InChIKey is YBJOEBRVPHPGLH-LJAQVGFWSA-N. The full InChI is InChI=1S/C29H25N3O/c1-19-9-8-14-24-25-17-20(2)31-32(25)29(30-28(19)24)27-23-13-7-6-12-22(23)15-16-26(27)33-18-21-10-4-3-5-11-21/h3-17,29-30H,18H2,1-2H3/t29-/m0/s1.
What are the key properties of (5S)-2,7-dimethyl-5-(2-phenylmethoxynaphthalen-1-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline?
(5S)-2,7-dimethyl-5-(2-phenylmethoxynaphthalen-1-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline has a molecular weight of 431.54 g/mol, XLogP of 6.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2,7-dimethyl-5-(2-phenylmethoxynaphthalen-1-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline is sourced from PubChem (CID 136695696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).