2-(quinolin-6-ylamino)-1,7-dihydropurin-6-one

C14H10N6O — CID 135998458

IUPAC2-(quinolin-6-ylamino)-1,7-dihydropurin-6-one
SMILESO=c1[nH]c(Nc2ccc3ncccc3c2)nc2nc[nH]c12
InChIInChI=1S/C14H10N6O/c21-13-11-12(17-7-16-11)19-14(20-13)18-9-3-4-10-8(6-9)2-1-5-15-10/h1-7H,(H3,16,17,18,19,20,21)
InChIKeySXIFQBFHHIMSOW-UHFFFAOYSA-N
MW278.28 g/mol
LogP1.94
Rot. Bonds2

About 2-(quinolin-6-ylamino)-1,7-dihydropurin-6-one

2-(quinolin-6-ylamino)-1,7-dihydropurin-6-one (PubChem CID 135998458) has the molecular formula C14H10N6O and a molecular weight of 278.28 g/mol. Its IUPAC name is 2-(quinolin-6-ylamino)-1,7-dihydropurin-6-one.

Molecular Properties

Compound Name2-(quinolin-6-ylamino)-1,7-dihydropurin-6-one
PubChem CID135998458
Molecular FormulaC14H10N6O
Molecular Weight278.28 g/mol
Exact Mass278.09
IUPAC Name2-(quinolin-6-ylamino)-1,7-dihydropurin-6-one
SMILESO=c1[nH]c(Nc2ccc3ncccc3c2)nc2nc[nH]c12
InChIInChI=1S/C14H10N6O/c21-13-11-12(17-7-16-11)19-14(20-13)18-9-3-4-10-8(6-9)2-1-5-15-10/h1-7H,(H3,16,17,18,19,20,21)
InChIKeySXIFQBFHHIMSOW-UHFFFAOYSA-N
XLogP1.94
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(naphthalen-2-ylamino)-1,7-dihydropurin-6-one
CID 135435088
2-N-quinolin-6-yl-7H-purine-2,6-diamine
CID 117084904
2-(3,5-dichloroanilino)-1,7-dihydropurin-6-one
CID 135410329
6-N-benzyl-8-N-quinolin-6-yl-7H-purine-6,8-diamine
CID 117087853
2-[(2-aminonaphthalen-1-yl)amino]-1,7-dihydropurin-6-one
CID 169449405
N-[6-[(Z)-pent-2-en-3-yl]-7H-purin-2-yl]quinolin-6-amine
CID 148807468
2-(methylamino)-1,7-dihydropurin-6-one;dihydrochloride
CID 174295728
2-[[2-(quinolin-6-ylamino)-7H-purin-6-yl]amino]propan-1-ol
CID 25120412
6-N-[2-(4-methoxyphenyl)ethyl]-8-N-quinolin-6-yl-7H-purine-6,8-diamine
CID 117088681
2-(trifluoromethylamino)-1,7-dihydropurin-6-one
CID 141084811
1-[3-[[8-(quinolin-6-ylamino)-7H-purin-6-yl]amino]propyl]pyrrolidin-2-one
CID 117084800
N-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinolin-6-amine
CID 58087251

Frequently Asked Questions

What is the IUPAC name of 2-(quinolin-6-ylamino)-1,7-dihydropurin-6-one?
The IUPAC name of 2-(quinolin-6-ylamino)-1,7-dihydropurin-6-one (CID 135998458) is 2-(quinolin-6-ylamino)-1,7-dihydropurin-6-one.
What is the SMILES notation for 2-(quinolin-6-ylamino)-1,7-dihydropurin-6-one?
The canonical SMILES for 2-(quinolin-6-ylamino)-1,7-dihydropurin-6-one is O=c1[nH]c(Nc2ccc3ncccc3c2)nc2nc[nH]c12.
What is the InChIKey of 2-(quinolin-6-ylamino)-1,7-dihydropurin-6-one?
The InChIKey is SXIFQBFHHIMSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N6O/c21-13-11-12(17-7-16-11)19-14(20-13)18-9-3-4-10-8(6-9)2-1-5-15-10/h1-7H,(H3,16,17,18,19,20,21).
What are the key properties of 2-(quinolin-6-ylamino)-1,7-dihydropurin-6-one?
2-(quinolin-6-ylamino)-1,7-dihydropurin-6-one has a molecular weight of 278.28 g/mol, XLogP of 1.94, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(quinolin-6-ylamino)-1,7-dihydropurin-6-one is sourced from PubChem (CID 135998458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).