[(3R)-1-(2-chloro-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-3-yl]carbamic acid

C14H19ClN4O2 — CID 141430950

IUPAC[(3R)-1-(2-chloro-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-3-yl]carbamic acid
SMILESO=C(O)N[C@@H]1CCCN(c2nc(Cl)nc3c2CCCC3)C1
InChIInChI=1S/C14H19ClN4O2/c15-13-17-11-6-2-1-5-10(11)12(18-13)19-7-3-4-9(8-19)16-14(20)21/h9,16H,1-8H2,(H,20,21)/t9-/m1/s1
InChIKeyOISNGLIFCDTTFB-SECBINFHSA-N
MW310.79 g/mol
LogP2.25
Rot. Bonds2

About [(3R)-1-(2-chloro-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-3-yl]carbamic acid

[(3R)-1-(2-chloro-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-3-yl]carbamic acid (PubChem CID 141430950) has the molecular formula C14H19ClN4O2 and a molecular weight of 310.79 g/mol. Its IUPAC name is [(3R)-1-(2-chloro-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[(3R)-1-(2-chloro-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-3-yl]carbamic acid
PubChem CID141430950
Molecular FormulaC14H19ClN4O2
Molecular Weight310.79 g/mol
Exact Mass310.12
IUPAC Name[(3R)-1-(2-chloro-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-3-yl]carbamic acid
SMILESO=C(O)N[C@@H]1CCCN(c2nc(Cl)nc3c2CCCC3)C1
InChIInChI=1S/C14H19ClN4O2/c15-13-17-11-6-2-1-5-10(11)12(18-13)19-7-3-4-9(8-19)16-14(20)21/h9,16H,1-8H2,(H,20,21)/t9-/m1/s1
InChIKeyOISNGLIFCDTTFB-SECBINFHSA-N
XLogP2.25
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(2-chloro-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-3-yl]carbamic acid?
The IUPAC name of [(3R)-1-(2-chloro-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-3-yl]carbamic acid (CID 141430950) is [(3R)-1-(2-chloro-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-3-yl]carbamic acid.
What is the SMILES notation for [(3R)-1-(2-chloro-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-3-yl]carbamic acid?
The canonical SMILES for [(3R)-1-(2-chloro-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-3-yl]carbamic acid is O=C(O)N[C@@H]1CCCN(c2nc(Cl)nc3c2CCCC3)C1.
What is the InChIKey of [(3R)-1-(2-chloro-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-3-yl]carbamic acid?
The InChIKey is OISNGLIFCDTTFB-SECBINFHSA-N. The full InChI is InChI=1S/C14H19ClN4O2/c15-13-17-11-6-2-1-5-10(11)12(18-13)19-7-3-4-9(8-19)16-14(20)21/h9,16H,1-8H2,(H,20,21)/t9-/m1/s1.
What are the key properties of [(3R)-1-(2-chloro-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-3-yl]carbamic acid?
[(3R)-1-(2-chloro-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-3-yl]carbamic acid has a molecular weight of 310.79 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(2-chloro-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-3-yl]carbamic acid is sourced from PubChem (CID 141430950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).