4-amino-N-(cyclopropylmethyl)-8-(4-methoxy-3-pyridinyl)-1-methyl-2-oxoquinoline-3-carboxamide

C21H22N4O3 — CID 163255223

IUPAC4-amino-N-(cyclopropylmethyl)-8-(4-methoxy-3-pyridinyl)-1-methyl-2-oxoquinoline-3-carboxamide
SMILESCOc1ccncc1-c1cccc2c(N)c(C(=O)NCC3CC3)c(=O)n(C)c12
InChIInChI=1S/C21H22N4O3/c1-25-19-13(15-11-23-9-8-16(15)28-2)4-3-5-14(19)18(22)17(21(25)27)20(26)24-10-12-6-7-12/h3-5,8-9,11-12H,6-7,10,22H2,1-2H3,(H,24,26)
InChIKeyNAOGEWDFEXEAQN-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.33
Rot. Bonds5

About 4-amino-N-(cyclopropylmethyl)-8-(4-methoxy-3-pyridinyl)-1-methyl-2-oxoquinoline-3-carboxamide

4-amino-N-(cyclopropylmethyl)-8-(4-methoxy-3-pyridinyl)-1-methyl-2-oxoquinoline-3-carboxamide (PubChem CID 163255223) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 4-amino-N-(cyclopropylmethyl)-8-(4-methoxy-3-pyridinyl)-1-methyl-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(cyclopropylmethyl)-8-(4-methoxy-3-pyridinyl)-1-methyl-2-oxoquinoline-3-carboxamide
PubChem CID163255223
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name4-amino-N-(cyclopropylmethyl)-8-(4-methoxy-3-pyridinyl)-1-methyl-2-oxoquinoline-3-carboxamide
SMILESCOc1ccncc1-c1cccc2c(N)c(C(=O)NCC3CC3)c(=O)n(C)c12
InChIInChI=1S/C21H22N4O3/c1-25-19-13(15-11-23-9-8-16(15)28-2)4-3-5-14(19)18(22)17(21(25)27)20(26)24-10-12-6-7-12/h3-5,8-9,11-12H,6-7,10,22H2,1-2H3,(H,24,26)
InChIKeyNAOGEWDFEXEAQN-UHFFFAOYSA-N
XLogP2.33
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(cyclopropylmethyl)-8-(4-methoxy-3-pyridinyl)-1-methyl-2-oxoquinoline-3-carboxamide?
The IUPAC name of 4-amino-N-(cyclopropylmethyl)-8-(4-methoxy-3-pyridinyl)-1-methyl-2-oxoquinoline-3-carboxamide (CID 163255223) is 4-amino-N-(cyclopropylmethyl)-8-(4-methoxy-3-pyridinyl)-1-methyl-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for 4-amino-N-(cyclopropylmethyl)-8-(4-methoxy-3-pyridinyl)-1-methyl-2-oxoquinoline-3-carboxamide?
The canonical SMILES for 4-amino-N-(cyclopropylmethyl)-8-(4-methoxy-3-pyridinyl)-1-methyl-2-oxoquinoline-3-carboxamide is COc1ccncc1-c1cccc2c(N)c(C(=O)NCC3CC3)c(=O)n(C)c12.
What is the InChIKey of 4-amino-N-(cyclopropylmethyl)-8-(4-methoxy-3-pyridinyl)-1-methyl-2-oxoquinoline-3-carboxamide?
The InChIKey is NAOGEWDFEXEAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-25-19-13(15-11-23-9-8-16(15)28-2)4-3-5-14(19)18(22)17(21(25)27)20(26)24-10-12-6-7-12/h3-5,8-9,11-12H,6-7,10,22H2,1-2H3,(H,24,26).
What are the key properties of 4-amino-N-(cyclopropylmethyl)-8-(4-methoxy-3-pyridinyl)-1-methyl-2-oxoquinoline-3-carboxamide?
4-amino-N-(cyclopropylmethyl)-8-(4-methoxy-3-pyridinyl)-1-methyl-2-oxoquinoline-3-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(cyclopropylmethyl)-8-(4-methoxy-3-pyridinyl)-1-methyl-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 163255223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).