(4R)-3-[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

C25H29N5O3 — CID 163290706

IUPAC(4R)-3-[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCOc1cc2c(cc1Nc1ncc3ccc(N4C(=O)OC[C@H]4C(C)C)cc3n1)CN(C)CC2
InChIInChI=1S/C25H29N5O3/c1-15(2)22-14-33-25(31)30(22)19-6-5-17-12-26-24(27-20(17)11-19)28-21-9-18-13-29(3)8-7-16(18)10-23(21)32-4/h5-6,9-12,15,22H,7-8,13-14H2,1-4H3,(H,26,27,28)/t22-/m0/s1
InChIKeyOMVPIOILLVBVIA-QFIPXVFZSA-N
MW447.54 g/mol
LogP4.35
Rot. Bonds5

About (4R)-3-[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4R)-3-[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 163290706) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is (4R)-3-[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID163290706
Molecular FormulaC25H29N5O3
Molecular Weight447.54 g/mol
Exact Mass447.23
IUPAC Name(4R)-3-[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCOc1cc2c(cc1Nc1ncc3ccc(N4C(=O)OC[C@H]4C(C)C)cc3n1)CN(C)CC2
InChIInChI=1S/C25H29N5O3/c1-15(2)22-14-33-25(31)30(22)19-6-5-17-12-26-24(27-20(17)11-19)28-21-9-18-13-29(3)8-7-16(18)10-23(21)32-4/h5-6,9-12,15,22H,7-8,13-14H2,1-4H3,(H,26,27,28)/t22-/m0/s1
InChIKeyOMVPIOILLVBVIA-QFIPXVFZSA-N
XLogP4.35
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4R)-3-[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]-4-propan-2-yl-1,3-oxazolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

3-[(3S)-1-[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]piperidin-3-yl]-1,3-oxazolidin-2-one
CID 163290956
(5S)-3-[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 175714434
4-[[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]amino]cyclohexan-1-ol
CID 163290805
N-(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-amine
CID 163290990
6-methoxy-2-methyl-N-(1H-pyrazolo[3,4-d]pyrimidin-6-yl)-3,4-dihydro-1H-isoquinolin-7-amine
CID 165171835
[6-[[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]amino]-2-pyridinyl]methanol
CID 163290781
N-(7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-7-[1-(oxan-2-yl)pyrazol-4-yl]quinazolin-2-amine
CID 170039250
4-[5-chloro-2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]pyrimidin-4-yl]oxy-3-methylphenol
CID 170076545
N-[(2S)-1-[6-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]propan-2-yl]methanesulfonamide
CID 165171902
6-methoxy-2-methyl-N-[3-methyl-1-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidin-6-yl]-3,4-dihydro-1H-isoquinolin-7-amine
CID 165171905
3-[6-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]-N-methylcyclopentane-1-carboxamide
CID 172826654
N-(1-cyclohex-2-en-1-ylpyrazolo[3,4-d]pyrimidin-6-yl)-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine
CID 165171658

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 163290706) is (4R)-3-[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is COc1cc2c(cc1Nc1ncc3ccc(N4C(=O)OC[C@H]4C(C)C)cc3n1)CN(C)CC2.
What is the InChIKey of (4R)-3-[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is OMVPIOILLVBVIA-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H29N5O3/c1-15(2)22-14-33-25(31)30(22)19-6-5-17-12-26-24(27-20(17)11-19)28-21-9-18-13-29(3)8-7-16(18)10-23(21)32-4/h5-6,9-12,15,22H,7-8,13-14H2,1-4H3,(H,26,27,28)/t22-/m0/s1.
What are the key properties of (4R)-3-[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4R)-3-[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 447.54 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]quinazolin-7-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 163290706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).