2-amino-N-[(3S,4R)-4-methoxypiperidin-3-yl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide;hydrochloride

C15H24ClN5O2 — CID 154914605

IUPAC2-amino-N-[(3S,4R)-4-methoxypiperidin-3-yl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide;hydrochloride
SMILESCO[C@@H]1CCNC[C@@H]1NC(=O)c1nc(N)nc2c1CCCC2.Cl
InChIInChI=1S/C15H23N5O2.ClH/c1-22-12-6-7-17-8-11(12)18-14(21)13-9-4-2-3-5-10(9)19-15(16)20-13;/h11-12,17H,2-8H2,1H3,(H,18,21)(H2,16,19,20);1H/t11-,12+;/m0./s1
InChIKeyAQFPVEYDQPLDPG-ZVWHLABXSA-N
MW341.84 g/mol
LogP0.47
Rot. Bonds3

About 2-amino-N-[(3S,4R)-4-methoxypiperidin-3-yl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide;hydrochloride

2-amino-N-[(3S,4R)-4-methoxypiperidin-3-yl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide;hydrochloride (PubChem CID 154914605) has the molecular formula C15H24ClN5O2 and a molecular weight of 341.84 g/mol. Its IUPAC name is 2-amino-N-[(3S,4R)-4-methoxypiperidin-3-yl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[(3S,4R)-4-methoxypiperidin-3-yl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide;hydrochloride
PubChem CID154914605
Molecular FormulaC15H24ClN5O2
Molecular Weight341.84 g/mol
Exact Mass341.16
IUPAC Name2-amino-N-[(3S,4R)-4-methoxypiperidin-3-yl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide;hydrochloride
SMILESCO[C@@H]1CCNC[C@@H]1NC(=O)c1nc(N)nc2c1CCCC2.Cl
InChIInChI=1S/C15H23N5O2.ClH/c1-22-12-6-7-17-8-11(12)18-14(21)13-9-4-2-3-5-10(9)19-15(16)20-13;/h11-12,17H,2-8H2,1H3,(H,18,21)(H2,16,19,20);1H/t11-,12+;/m0./s1
InChIKeyAQFPVEYDQPLDPG-ZVWHLABXSA-N
XLogP0.47
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3S,4R)-4-methoxypiperidin-3-yl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide;hydrochloride?
The IUPAC name of 2-amino-N-[(3S,4R)-4-methoxypiperidin-3-yl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide;hydrochloride (CID 154914605) is 2-amino-N-[(3S,4R)-4-methoxypiperidin-3-yl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[(3S,4R)-4-methoxypiperidin-3-yl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide;hydrochloride?
The canonical SMILES for 2-amino-N-[(3S,4R)-4-methoxypiperidin-3-yl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide;hydrochloride is CO[C@@H]1CCNC[C@@H]1NC(=O)c1nc(N)nc2c1CCCC2.Cl.
What is the InChIKey of 2-amino-N-[(3S,4R)-4-methoxypiperidin-3-yl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide;hydrochloride?
The InChIKey is AQFPVEYDQPLDPG-ZVWHLABXSA-N. The full InChI is InChI=1S/C15H23N5O2.ClH/c1-22-12-6-7-17-8-11(12)18-14(21)13-9-4-2-3-5-10(9)19-15(16)20-13;/h11-12,17H,2-8H2,1H3,(H,18,21)(H2,16,19,20);1H/t11-,12+;/m0./s1.
What are the key properties of 2-amino-N-[(3S,4R)-4-methoxypiperidin-3-yl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide;hydrochloride?
2-amino-N-[(3S,4R)-4-methoxypiperidin-3-yl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide;hydrochloride has a molecular weight of 341.84 g/mol, XLogP of 0.47, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3S,4R)-4-methoxypiperidin-3-yl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide;hydrochloride is sourced from PubChem (CID 154914605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).