2-amino-N-[8-methoxy-3-methyl-7-[2-[(2R)-4-methylmorpholin-2-yl]ethoxy]-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide

C22H27N7O5 — CID 162701405

IUPAC2-amino-N-[8-methoxy-3-methyl-7-[2-[(2R)-4-methylmorpholin-2-yl]ethoxy]-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide
SMILESCOc1c(OCC[C@@H]2CN(C)CCO2)ccc2c(=O)n(C)c(NC(=O)c3cnc(N)nc3)nc12
InChIInChI=1S/C22H27N7O5/c1-28-7-9-33-14(12-28)6-8-34-16-5-4-15-17(18(16)32-3)26-22(29(2)20(15)31)27-19(30)13-10-24-21(23)25-11-13/h4-5,10-11,14H,6-9,12H2,1-3H3,(H2,23,24,25)(H,26,27,30)/t14-/m1/s1
InChIKeyLQOUMGDPUPJGNO-CQSZACIVSA-N
MW469.50 g/mol
LogP0.67
Rot. Bonds7

About 2-amino-N-[8-methoxy-3-methyl-7-[2-[(2R)-4-methylmorpholin-2-yl]ethoxy]-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide

2-amino-N-[8-methoxy-3-methyl-7-[2-[(2R)-4-methylmorpholin-2-yl]ethoxy]-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide (PubChem CID 162701405) has the molecular formula C22H27N7O5 and a molecular weight of 469.50 g/mol. Its IUPAC name is 2-amino-N-[8-methoxy-3-methyl-7-[2-[(2R)-4-methylmorpholin-2-yl]ethoxy]-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-[8-methoxy-3-methyl-7-[2-[(2R)-4-methylmorpholin-2-yl]ethoxy]-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide
PubChem CID162701405
Molecular FormulaC22H27N7O5
Molecular Weight469.50 g/mol
Exact Mass469.21
IUPAC Name2-amino-N-[8-methoxy-3-methyl-7-[2-[(2R)-4-methylmorpholin-2-yl]ethoxy]-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide
SMILESCOc1c(OCC[C@@H]2CN(C)CCO2)ccc2c(=O)n(C)c(NC(=O)c3cnc(N)nc3)nc12
InChIInChI=1S/C22H27N7O5/c1-28-7-9-33-14(12-28)6-8-34-16-5-4-15-17(18(16)32-3)26-22(29(2)20(15)31)27-19(30)13-10-24-21(23)25-11-13/h4-5,10-11,14H,6-9,12H2,1-3H3,(H2,23,24,25)(H,26,27,30)/t14-/m1/s1
InChIKeyLQOUMGDPUPJGNO-CQSZACIVSA-N
XLogP0.67
TPSA146.72 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.50
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[8-methoxy-3-methyl-7-[2-[(2R)-4-methylmorpholin-2-yl]ethoxy]-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide?
The IUPAC name of 2-amino-N-[8-methoxy-3-methyl-7-[2-[(2R)-4-methylmorpholin-2-yl]ethoxy]-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide (CID 162701405) is 2-amino-N-[8-methoxy-3-methyl-7-[2-[(2R)-4-methylmorpholin-2-yl]ethoxy]-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-N-[8-methoxy-3-methyl-7-[2-[(2R)-4-methylmorpholin-2-yl]ethoxy]-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-N-[8-methoxy-3-methyl-7-[2-[(2R)-4-methylmorpholin-2-yl]ethoxy]-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide is COc1c(OCC[C@@H]2CN(C)CCO2)ccc2c(=O)n(C)c(NC(=O)c3cnc(N)nc3)nc12.
What is the InChIKey of 2-amino-N-[8-methoxy-3-methyl-7-[2-[(2R)-4-methylmorpholin-2-yl]ethoxy]-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide?
The InChIKey is LQOUMGDPUPJGNO-CQSZACIVSA-N. The full InChI is InChI=1S/C22H27N7O5/c1-28-7-9-33-14(12-28)6-8-34-16-5-4-15-17(18(16)32-3)26-22(29(2)20(15)31)27-19(30)13-10-24-21(23)25-11-13/h4-5,10-11,14H,6-9,12H2,1-3H3,(H2,23,24,25)(H,26,27,30)/t14-/m1/s1.
What are the key properties of 2-amino-N-[8-methoxy-3-methyl-7-[2-[(2R)-4-methylmorpholin-2-yl]ethoxy]-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide?
2-amino-N-[8-methoxy-3-methyl-7-[2-[(2R)-4-methylmorpholin-2-yl]ethoxy]-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide has a molecular weight of 469.50 g/mol, XLogP of 0.67, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[8-methoxy-3-methyl-7-[2-[(2R)-4-methylmorpholin-2-yl]ethoxy]-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 162701405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).