4-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-8-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine

C26H27N7O — CID 170311019

IUPAC4-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-8-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine
SMILESCc1c(-c2ccc(N)c3c(-c4ccc5c(c4)CN(C)CC5)nc(N)nc23)cnc2c1NCCO2
InChIInChI=1S/C26H27N7O/c1-14-19(12-30-25-22(14)29-8-10-34-25)18-5-6-20(27)21-23(31-26(28)32-24(18)21)16-4-3-15-7-9-33(2)13-17(15)11-16/h3-6,11-12,29H,7-10,13,27H2,1-2H3,(H2,28,31,32)
InChIKeyKFZNXTHESBENSX-UHFFFAOYSA-N
MW453.55 g/mol
LogP3.62
Rot. Bonds2

About 4-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-8-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine

4-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-8-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine (PubChem CID 170311019) has the molecular formula C26H27N7O and a molecular weight of 453.55 g/mol. Its IUPAC name is 4-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-8-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine.

Molecular Properties

Compound Name4-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-8-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine
PubChem CID170311019
Molecular FormulaC26H27N7O
Molecular Weight453.55 g/mol
Exact Mass453.23
IUPAC Name4-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-8-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine
SMILESCc1c(-c2ccc(N)c3c(-c4ccc5c(c4)CN(C)CC5)nc(N)nc23)cnc2c1NCCO2
InChIInChI=1S/C26H27N7O/c1-14-19(12-30-25-22(14)29-8-10-34-25)18-5-6-20(27)21-23(31-26(28)32-24(18)21)16-4-3-15-7-9-33(2)13-17(15)11-16/h3-6,11-12,29H,7-10,13,27H2,1-2H3,(H2,28,31,32)
InChIKeyKFZNXTHESBENSX-UHFFFAOYSA-N
XLogP3.62
TPSA115.21 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.55
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-8-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine with MolForge

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Launch Full Analysis

Related Compounds

4-fluoro-2-N-(6-fluoro-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)quinazoline-2,5-diamine
CID 170533426
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-fluoro-2-N-(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine
CID 164514727
4-[4-(4-methylpiperazin-1-yl)phenyl]-8-(4-methyl-3-pyridinyl)quinazoline-2,5-diamine
CID 170311040
7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-(4-methylphenyl)quinazolin-2-amine
CID 177197629
[8-amino-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-2,7-naphthyridin-3-yl]carbamic acid
CID 135345113
tert-butyl 8-methyl-7-[2-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-5-[(2-methylpropan-2-yl)oxycarbonylamino]quinazolin-8-yl]-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate
CID 169258299
4-(2,4,4-trimethyl-1,3-dihydroisoquinolin-7-yl)quinazoline-2,5-diamine
CID 170533413
2-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]-6-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one
CID 163291058
[8-amino-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl] N-(4-methyloxolan-3-yl)carbamate
CID 175142613
(3Z)-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-3-(3H-pyrazol-4-ylmethylidene)-1H-inden-2-one
CID 157183036
ethane;8-methyl-7-propan-2-yl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine
CID 153397819

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-8-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine?
The IUPAC name of 4-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-8-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine (CID 170311019) is 4-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-8-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine.
What is the SMILES notation for 4-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-8-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine?
The canonical SMILES for 4-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-8-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine is Cc1c(-c2ccc(N)c3c(-c4ccc5c(c4)CN(C)CC5)nc(N)nc23)cnc2c1NCCO2.
What is the InChIKey of 4-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-8-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine?
The InChIKey is KFZNXTHESBENSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O/c1-14-19(12-30-25-22(14)29-8-10-34-25)18-5-6-20(27)21-23(31-26(28)32-24(18)21)16-4-3-15-7-9-33(2)13-17(15)11-16/h3-6,11-12,29H,7-10,13,27H2,1-2H3,(H2,28,31,32).
What are the key properties of 4-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-8-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine?
4-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-8-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine has a molecular weight of 453.55 g/mol, XLogP of 3.62, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-8-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazoline-2,5-diamine is sourced from PubChem (CID 170311019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).