N-[6-[(Z)-pent-2-en-3-yl]-7H-purin-2-yl]quinolin-6-amine

C19H18N6 — CID 148807468

IUPACN-[6-[(Z)-pent-2-en-3-yl]-7H-purin-2-yl]quinolin-6-amine
SMILESC/C=C(/CC)c1nc(Nc2ccc3ncccc3c2)nc2nc[nH]c12
InChIInChI=1S/C19H18N6/c1-3-12(4-2)16-17-18(22-11-21-17)25-19(24-16)23-14-7-8-15-13(10-14)6-5-9-20-15/h3,5-11H,4H2,1-2H3,(H2,21,22,23,24,25)/b12-3-
InChIKeyOPGBNMNRVXZGHU-BASWHVEKSA-N
MW330.40 g/mol
LogP4.46
Rot. Bonds4

About N-[6-[(Z)-pent-2-en-3-yl]-7H-purin-2-yl]quinolin-6-amine

N-[6-[(Z)-pent-2-en-3-yl]-7H-purin-2-yl]quinolin-6-amine (PubChem CID 148807468) has the molecular formula C19H18N6 and a molecular weight of 330.40 g/mol. Its IUPAC name is N-[6-[(Z)-pent-2-en-3-yl]-7H-purin-2-yl]quinolin-6-amine.

Molecular Properties

Compound NameN-[6-[(Z)-pent-2-en-3-yl]-7H-purin-2-yl]quinolin-6-amine
PubChem CID148807468
Molecular FormulaC19H18N6
Molecular Weight330.40 g/mol
Exact Mass330.16
IUPAC NameN-[6-[(Z)-pent-2-en-3-yl]-7H-purin-2-yl]quinolin-6-amine
SMILESC/C=C(/CC)c1nc(Nc2ccc3ncccc3c2)nc2nc[nH]c12
InChIInChI=1S/C19H18N6/c1-3-12(4-2)16-17-18(22-11-21-17)25-19(24-16)23-14-7-8-15-13(10-14)6-5-9-20-15/h3,5-11H,4H2,1-2H3,(H2,21,22,23,24,25)/b12-3-
InChIKeyOPGBNMNRVXZGHU-BASWHVEKSA-N
XLogP4.46
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(quinolin-6-ylamino)-7H-purin-6-yl]amino]propan-1-ol
CID 25120412
2-N-quinolin-6-yl-7H-purine-2,6-diamine
CID 117084904
6-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-N-quinolin-6-yl-7H-purine-2,6-diamine
CID 11553684
2-(quinolin-6-ylamino)-1,7-dihydropurin-6-one
CID 135998458
2-(quinolin-6-ylamino)pyridin-3-ol
CID 139352880
N-(4,6-dihydrazinylpyrimidin-2-yl)quinolin-6-amine
CID 139976319
2-N-(3H-benzimidazol-5-yl)-4-N-quinolin-6-ylpyrimidine-2,4-diamine
CID 86210860
N-[(5-methyl-1H-imidazol-4-yl)methyl]quinolin-6-amine
CID 62743051
N-quinolin-6-ylethanesulfonamide
CID 64584546
5-ethyl-6-N-methyl-4-N-quinolin-6-ylpyrimidine-4,6-diamine
CID 80802898
1-[4-(quinolin-6-ylamino)phenyl]ethanone
CID 82536653
6-N-cyclopropyl-2-N-(4-ethylquinolin-6-yl)-7H-purine-2,6-diamine;dihydrate
CID 140800648

Frequently Asked Questions

What is the IUPAC name of N-[6-[(Z)-pent-2-en-3-yl]-7H-purin-2-yl]quinolin-6-amine?
The IUPAC name of N-[6-[(Z)-pent-2-en-3-yl]-7H-purin-2-yl]quinolin-6-amine (CID 148807468) is N-[6-[(Z)-pent-2-en-3-yl]-7H-purin-2-yl]quinolin-6-amine.
What is the SMILES notation for N-[6-[(Z)-pent-2-en-3-yl]-7H-purin-2-yl]quinolin-6-amine?
The canonical SMILES for N-[6-[(Z)-pent-2-en-3-yl]-7H-purin-2-yl]quinolin-6-amine is C/C=C(/CC)c1nc(Nc2ccc3ncccc3c2)nc2nc[nH]c12.
What is the InChIKey of N-[6-[(Z)-pent-2-en-3-yl]-7H-purin-2-yl]quinolin-6-amine?
The InChIKey is OPGBNMNRVXZGHU-BASWHVEKSA-N. The full InChI is InChI=1S/C19H18N6/c1-3-12(4-2)16-17-18(22-11-21-17)25-19(24-16)23-14-7-8-15-13(10-14)6-5-9-20-15/h3,5-11H,4H2,1-2H3,(H2,21,22,23,24,25)/b12-3-.
What are the key properties of N-[6-[(Z)-pent-2-en-3-yl]-7H-purin-2-yl]quinolin-6-amine?
N-[6-[(Z)-pent-2-en-3-yl]-7H-purin-2-yl]quinolin-6-amine has a molecular weight of 330.40 g/mol, XLogP of 4.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(Z)-pent-2-en-3-yl]-7H-purin-2-yl]quinolin-6-amine is sourced from PubChem (CID 148807468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).