(1S,3R,4R)-3-amino-4-hydroxy-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride

C17H27ClN4O2 — CID 155938503

IUPAC(1S,3R,4R)-3-amino-4-hydroxy-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCc1nc(CCNC(=O)[C@H]2C[C@@H](N)[C@H](O)C2)nc2c1CCCC2.Cl
InChIInChI=1S/C17H26N4O2.ClH/c1-10-12-4-2-3-5-14(12)21-16(20-10)6-7-19-17(23)11-8-13(18)15(22)9-11;/h11,13,15,22H,2-9,18H2,1H3,(H,19,23);1H/t11-,13+,15+;/m0./s1
InChIKeyOPDISSVNOWSHPT-QWMUGUDESA-N
MW354.88 g/mol
LogP0.84
Rot. Bonds4

About (1S,3R,4R)-3-amino-4-hydroxy-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride

(1S,3R,4R)-3-amino-4-hydroxy-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 155938503) has the molecular formula C17H27ClN4O2 and a molecular weight of 354.88 g/mol. Its IUPAC name is (1S,3R,4R)-3-amino-4-hydroxy-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name(1S,3R,4R)-3-amino-4-hydroxy-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID155938503
Molecular FormulaC17H27ClN4O2
Molecular Weight354.88 g/mol
Exact Mass354.18
IUPAC Name(1S,3R,4R)-3-amino-4-hydroxy-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCc1nc(CCNC(=O)[C@H]2C[C@@H](N)[C@H](O)C2)nc2c1CCCC2.Cl
InChIInChI=1S/C17H26N4O2.ClH/c1-10-12-4-2-3-5-14(12)21-16(20-10)6-7-19-17(23)11-8-13(18)15(22)9-11;/h11,13,15,22H,2-9,18H2,1H3,(H,19,23);1H/t11-,13+,15+;/m0./s1
InChIKeyOPDISSVNOWSHPT-QWMUGUDESA-N
XLogP0.84
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S,3R,4R)-3-amino-4-hydroxy-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of (1S,3R,4R)-3-amino-4-hydroxy-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride (CID 155938503) is (1S,3R,4R)-3-amino-4-hydroxy-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for (1S,3R,4R)-3-amino-4-hydroxy-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for (1S,3R,4R)-3-amino-4-hydroxy-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride is Cc1nc(CCNC(=O)[C@H]2C[C@@H](N)[C@H](O)C2)nc2c1CCCC2.Cl.
What is the InChIKey of (1S,3R,4R)-3-amino-4-hydroxy-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is OPDISSVNOWSHPT-QWMUGUDESA-N. The full InChI is InChI=1S/C17H26N4O2.ClH/c1-10-12-4-2-3-5-14(12)21-16(20-10)6-7-19-17(23)11-8-13(18)15(22)9-11;/h11,13,15,22H,2-9,18H2,1H3,(H,19,23);1H/t11-,13+,15+;/m0./s1.
What are the key properties of (1S,3R,4R)-3-amino-4-hydroxy-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride?
(1S,3R,4R)-3-amino-4-hydroxy-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 354.88 g/mol, XLogP of 0.84, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,4R)-3-amino-4-hydroxy-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 155938503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).