5-amino-N-[3-ethyl-8-methoxy-7-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-2-yl]pyrazine-2-carboxamide

C23H29N7O5 — CID 162701391

IUPAC5-amino-N-[3-ethyl-8-methoxy-7-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-2-yl]pyrazine-2-carboxamide
SMILESCCn1c(NC(=O)c2cnc(N)cn2)nc2c(OC)c(OCCCN3CCOCC3)ccc2c1=O
InChIInChI=1S/C23H29N7O5/c1-3-30-22(32)15-5-6-17(35-10-4-7-29-8-11-34-12-9-29)20(33-2)19(15)27-23(30)28-21(31)16-13-26-18(24)14-25-16/h5-6,13-14H,3-4,7-12H2,1-2H3,(H2,24,26)(H,27,28,31)
InChIKeyJHPKSBDKICAPKR-UHFFFAOYSA-N
MW483.53 g/mol
LogP1.15
Rot. Bonds9

About 5-amino-N-[3-ethyl-8-methoxy-7-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-2-yl]pyrazine-2-carboxamide

5-amino-N-[3-ethyl-8-methoxy-7-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-2-yl]pyrazine-2-carboxamide (PubChem CID 162701391) has the molecular formula C23H29N7O5 and a molecular weight of 483.53 g/mol. Its IUPAC name is 5-amino-N-[3-ethyl-8-methoxy-7-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-[3-ethyl-8-methoxy-7-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-2-yl]pyrazine-2-carboxamide
PubChem CID162701391
Molecular FormulaC23H29N7O5
Molecular Weight483.53 g/mol
Exact Mass483.22
IUPAC Name5-amino-N-[3-ethyl-8-methoxy-7-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-2-yl]pyrazine-2-carboxamide
SMILESCCn1c(NC(=O)c2cnc(N)cn2)nc2c(OC)c(OCCCN3CCOCC3)ccc2c1=O
InChIInChI=1S/C23H29N7O5/c1-3-30-22(32)15-5-6-17(35-10-4-7-29-8-11-34-12-9-29)20(33-2)19(15)27-23(30)28-21(31)16-13-26-18(24)14-25-16/h5-6,13-14H,3-4,7-12H2,1-2H3,(H2,24,26)(H,27,28,31)
InChIKeyJHPKSBDKICAPKR-UHFFFAOYSA-N
XLogP1.15
TPSA146.72 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.53
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Related Compounds

N-[3-ethyl-8-methoxy-7-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-2-yl]cyclohexanecarboxamide
CID 162701298
N-[3-ethyl-8-methoxy-7-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-2-yl]-7H-purine-6-carboxamide
CID 162701377
2-amino-N-(7-ethoxy-3-ethyl-8-methoxy-4-oxoquinazolin-2-yl)pyrimidine-5-carboxamide
CID 166812233
2-amino-N-[3-ethyl-7-(2-isocyanoethoxy)-8-methoxy-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide
CID 162701278
2-amino-N-[8-methoxy-3-methyl-7-[3-(4-methylsulfonylpiperazin-1-yl)propoxy]-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide
CID 154963229
2-amino-N-[5-methoxy-2-methyl-6-(3-morpholin-4-ylpropoxy)-1-oxoisoquinolin-3-yl]pyrimidine-5-carboxamide
CID 154973696
2-amino-N-[8-methoxy-3-methyl-7-[2-(2-oxa-7-azaspiro[3.5]nonan-7-yl)ethoxy]-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide
CID 162701360
2-amino-N-[8-methoxy-3-methyl-7-[2-[(2R)-4-methylmorpholin-2-yl]ethoxy]-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide
CID 162701405
N-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyrazine-2-carboxamide
CID 135871073
N-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]-6-(methylcarbamoylamino)pyridine-3-carboxamide
CID 135938519
2-amino-N-[7-[2-(methanesulfonamido)ethoxy]-8-methoxy-3-methyl-4-oxoquinazolin-2-yl]pyrimidine-5-carboxamide
CID 154963242
6-(2-methoxyethylamino)-N-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyridine-3-carboxamide
CID 135898528

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[3-ethyl-8-methoxy-7-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-2-yl]pyrazine-2-carboxamide?
The IUPAC name of 5-amino-N-[3-ethyl-8-methoxy-7-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-2-yl]pyrazine-2-carboxamide (CID 162701391) is 5-amino-N-[3-ethyl-8-methoxy-7-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-amino-N-[3-ethyl-8-methoxy-7-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for 5-amino-N-[3-ethyl-8-methoxy-7-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-2-yl]pyrazine-2-carboxamide is CCn1c(NC(=O)c2cnc(N)cn2)nc2c(OC)c(OCCCN3CCOCC3)ccc2c1=O.
What is the InChIKey of 5-amino-N-[3-ethyl-8-methoxy-7-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-2-yl]pyrazine-2-carboxamide?
The InChIKey is JHPKSBDKICAPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O5/c1-3-30-22(32)15-5-6-17(35-10-4-7-29-8-11-34-12-9-29)20(33-2)19(15)27-23(30)28-21(31)16-13-26-18(24)14-25-16/h5-6,13-14H,3-4,7-12H2,1-2H3,(H2,24,26)(H,27,28,31).
What are the key properties of 5-amino-N-[3-ethyl-8-methoxy-7-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-2-yl]pyrazine-2-carboxamide?
5-amino-N-[3-ethyl-8-methoxy-7-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-2-yl]pyrazine-2-carboxamide has a molecular weight of 483.53 g/mol, XLogP of 1.15, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[3-ethyl-8-methoxy-7-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 162701391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).