6-chloro-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

C27H27ClN6O2 — CID 163290931

IUPAC6-chloro-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
SMILESCOc1cc2c(cc1Nc1ncc3cc(Cl)c(-c4cnc5c(c4C)NCCO5)cc3n1)CN(C)CC2
InChIInChI=1S/C27H27ClN6O2/c1-15-20(13-30-26-25(15)29-5-7-36-26)19-11-22-17(8-21(19)28)12-31-27(32-22)33-23-9-18-14-34(2)6-4-16(18)10-24(23)35-3/h8-13,29H,4-7,14H2,1-3H3,(H,31,32,33)
InChIKeyPKUSWQGYEDOJHR-UHFFFAOYSA-N
MW503.01 g/mol
LogP5.20
Rot. Bonds4

About 6-chloro-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

6-chloro-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 (PubChem CID 163290931) has the molecular formula C27H27ClN6O2 and a molecular weight of 503.01 g/mol. Its IUPAC name is 6-chloro-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.

Molecular Properties

Compound Name6-chloro-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
PubChem CID163290931
Molecular FormulaC27H27ClN6O2
Molecular Weight503.01 g/mol
Exact Mass502.19
IUPAC Name6-chloro-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
SMILESCOc1cc2c(cc1Nc1ncc3cc(Cl)c(-c4cnc5c(c4C)NCCO5)cc3n1)CN(C)CC2
InChIInChI=1S/C27H27ClN6O2/c1-15-20(13-30-26-25(15)29-5-7-36-26)19-11-22-17(8-21(19)28)12-31-27(32-22)33-23-9-18-14-34(2)6-4-16(18)10-24(23)35-3/h8-13,29H,4-7,14H2,1-3H3,(H,31,32,33)
InChIKeyPKUSWQGYEDOJHR-UHFFFAOYSA-N
XLogP5.20
TPSA84.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.01
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-chloro-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-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?
The IUPAC name of 6-chloro-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 163290931) is 6-chloro-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.
What is the SMILES notation for 6-chloro-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?
The canonical SMILES for 6-chloro-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 is COc1cc2c(cc1Nc1ncc3cc(Cl)c(-c4cnc5c(c4C)NCCO5)cc3n1)CN(C)CC2.
What is the InChIKey of 6-chloro-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?
The InChIKey is PKUSWQGYEDOJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClN6O2/c1-15-20(13-30-26-25(15)29-5-7-36-26)19-11-22-17(8-21(19)28)12-31-27(32-22)33-23-9-18-14-34(2)6-4-16(18)10-24(23)35-3/h8-13,29H,4-7,14H2,1-3H3,(H,31,32,33).
What are the key properties of 6-chloro-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?
6-chloro-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 has a molecular weight of 503.01 g/mol, XLogP of 5.20, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-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 is sourced from PubChem (CID 163290931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).