2-amino-8-methoxy-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide

C20H17N5O2 — CID 122444945

IUPAC2-amino-8-methoxy-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide
SMILESCOc1cccc2c(C(=O)NCc3cccc4cccnc34)nc(N)nc12
InChIInChI=1S/C20H17N5O2/c1-27-15-9-3-8-14-17(15)24-20(21)25-18(14)19(26)23-11-13-6-2-5-12-7-4-10-22-16(12)13/h2-10H,11H2,1H3,(H,23,26)(H2,21,24,25)
InChIKeyQUKCQGCIXGTFIF-UHFFFAOYSA-N
MW359.39 g/mol
LogP2.70
Rot. Bonds4

About 2-amino-8-methoxy-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide

2-amino-8-methoxy-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide (PubChem CID 122444945) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 2-amino-8-methoxy-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide.

Molecular Properties

Compound Name2-amino-8-methoxy-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide
PubChem CID122444945
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Name2-amino-8-methoxy-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide
SMILESCOc1cccc2c(C(=O)NCc3cccc4cccnc34)nc(N)nc12
InChIInChI=1S/C20H17N5O2/c1-27-15-9-3-8-14-17(15)24-20(21)25-18(14)19(26)23-11-13-6-2-5-12-7-4-10-22-16(12)13/h2-10H,11H2,1H3,(H,23,26)(H2,21,24,25)
InChIKeyQUKCQGCIXGTFIF-UHFFFAOYSA-N
XLogP2.70
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-amino-8-methoxyquinazolin-4-yl)-3-quinolin-8-ylpropan-1-one
CID 159292409
2-amino-8-methoxy-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinazoline-4-carboxamide
CID 122485352
2-amino-N-[[6-[(2-fluorophenoxy)methyl]-2-pyridinyl]methyl]-8-methoxyquinazoline-4-carboxamide
CID 122444984
2-amino-N-[[6-[(4-fluorophenoxy)methyl]-2-pyridinyl]methyl]-8-methoxyquinazoline-4-carboxamide
CID 122444944
1-(2-amino-8-methoxyquinazolin-4-yl)ethanone
CID 105470785
2-methoxy-N-(quinolin-8-ylmethyl)acetamide
CID 47468683
2-amino-N-[[6-(cyclopentyloxymethyl)-2-pyridinyl]methyl]-8-methoxyquinazoline-4-carboxamide
CID 122444911
2-amino-3-methoxy-N-(quinolin-8-ylmethyl)propanamide
CID 81428067
2-(methylamino)-N-(quinolin-8-ylmethyl)acetamide
CID 81427166
2-amino-N-(quinolin-8-ylmethyl)propanamide
CID 81427001
N-(quinolin-8-ylmethyl)-2-sulfanylacetamide
CID 81423056
N-[2-(4-methoxyphenoxy)ethyl]-2-quinolin-8-ylacetamide
CID 134036124

Frequently Asked Questions

What is the IUPAC name of 2-amino-8-methoxy-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide?
The IUPAC name of 2-amino-8-methoxy-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide (CID 122444945) is 2-amino-8-methoxy-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide.
What is the SMILES notation for 2-amino-8-methoxy-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide?
The canonical SMILES for 2-amino-8-methoxy-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide is COc1cccc2c(C(=O)NCc3cccc4cccnc34)nc(N)nc12.
What is the InChIKey of 2-amino-8-methoxy-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide?
The InChIKey is QUKCQGCIXGTFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-27-15-9-3-8-14-17(15)24-20(21)25-18(14)19(26)23-11-13-6-2-5-12-7-4-10-22-16(12)13/h2-10H,11H2,1H3,(H,23,26)(H2,21,24,25).
What are the key properties of 2-amino-8-methoxy-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide?
2-amino-8-methoxy-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide has a molecular weight of 359.39 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-methoxy-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide is sourced from PubChem (CID 122444945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).