7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-(4-methylphenyl)quinazolin-2-amine

C23H21N5O — CID 177197629

IUPAC7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-(4-methylphenyl)quinazolin-2-amine
SMILESCc1ccc(Nc2ncc3ccc(-c4cnc5c(c4C)NCCO5)cc3n2)cc1
InChIInChI=1S/C23H21N5O/c1-14-3-7-18(8-4-14)27-23-26-12-17-6-5-16(11-20(17)28-23)19-13-25-22-21(15(19)2)24-9-10-29-22/h3-8,11-13,24H,9-10H2,1-2H3,(H,26,27,28)
InChIKeyNKVUZORMHFOCDT-UHFFFAOYSA-N
MW383.46 g/mol
LogP4.86
Rot. Bonds3

About 7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-(4-methylphenyl)quinazolin-2-amine

7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-(4-methylphenyl)quinazolin-2-amine (PubChem CID 177197629) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is 7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-(4-methylphenyl)quinazolin-2-amine.

Molecular Properties

Compound Name7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-(4-methylphenyl)quinazolin-2-amine
PubChem CID177197629
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC Name7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-(4-methylphenyl)quinazolin-2-amine
SMILESCc1ccc(Nc2ncc3ccc(-c4cnc5c(c4C)NCCO5)cc3n2)cc1
InChIInChI=1S/C23H21N5O/c1-14-3-7-18(8-4-14)27-23-26-12-17-6-5-16(11-20(17)28-23)19-13-25-22-21(15(19)2)24-9-10-29-22/h3-8,11-13,24H,9-10H2,1-2H3,(H,26,27,28)
InChIKeyNKVUZORMHFOCDT-UHFFFAOYSA-N
XLogP4.86
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-(4-methylphenyl)quinazolin-2-amine with MolForge

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Related Compounds

3-[4-[4-[1-[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]piperidin-4-yl]piperidin-1-yl]phenyl]piperidine-2,6-dione
CID 177197695
1-[[4-[4-[2-[4-[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]piperazin-1-yl]ethyl]piperazin-1-yl]phenyl]methyl]-1,3-diazinane-2,4-dione
CID 177197565
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-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[4-[(1S)-1-methylsulfonylethyl]phenyl]quinazolin-2-amine
CID 164514611
N-[4-(ethylsulfonylmethyl)phenyl]-6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-amine
CID 163290799
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
(2S)-2-[4-[[6-fluoro-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]-N-methylpropanamide
CID 164514607
1-[4-[4-[[4-[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]piperidin-1-yl]methyl]piperidin-1-yl]phenyl]-1,3-diazinane-2,4-dione
CID 177197616
2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]ethyl]piperazin-1-yl]isoindole-1,3-dione
CID 177197682
2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[4-[[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]methyl]piperidin-1-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione
CID 177197995
5-[4-[4-[4-[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]pyrazol-1-yl]piperidin-1-yl]piperidin-1-yl]phenyl]-6-methylidenepiperidin-2-one
CID 177197491
3-[3-fluoro-4-[1-[[1-[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]phenyl]piperidin-4-yl]methyl]piperidin-4-yl]phenyl]-6-methylidenepiperidin-2-one
CID 177197735

Frequently Asked Questions

What is the IUPAC name of 7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-(4-methylphenyl)quinazolin-2-amine?
The IUPAC name of 7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-(4-methylphenyl)quinazolin-2-amine (CID 177197629) is 7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-(4-methylphenyl)quinazolin-2-amine.
What is the SMILES notation for 7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-(4-methylphenyl)quinazolin-2-amine?
The canonical SMILES for 7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-(4-methylphenyl)quinazolin-2-amine is Cc1ccc(Nc2ncc3ccc(-c4cnc5c(c4C)NCCO5)cc3n2)cc1.
What is the InChIKey of 7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-(4-methylphenyl)quinazolin-2-amine?
The InChIKey is NKVUZORMHFOCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O/c1-14-3-7-18(8-4-14)27-23-26-12-17-6-5-16(11-20(17)28-23)19-13-25-22-21(15(19)2)24-9-10-29-22/h3-8,11-13,24H,9-10H2,1-2H3,(H,26,27,28).
What are the key properties of 7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-(4-methylphenyl)quinazolin-2-amine?
7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-(4-methylphenyl)quinazolin-2-amine has a molecular weight of 383.46 g/mol, XLogP of 4.86, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-(4-methylphenyl)quinazolin-2-amine is sourced from PubChem (CID 177197629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).