N-[(3-chlorophenyl)methyl]-4-morpholin-4-ylquinazoline-6-carboxamide

C20H19ClN4O2 — CID 71842360

IUPACN-[(3-chlorophenyl)methyl]-4-morpholin-4-ylquinazoline-6-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)c1ccc2ncnc(N3CCOCC3)c2c1
InChIInChI=1S/C20H19ClN4O2/c21-16-3-1-2-14(10-16)12-22-20(26)15-4-5-18-17(11-15)19(24-13-23-18)25-6-8-27-9-7-25/h1-5,10-11,13H,6-9,12H2,(H,22,26)
InChIKeyTUNRRMWNPTWTQA-UHFFFAOYSA-N
MW382.85 g/mol
LogP3.05
Rot. Bonds4

About N-[(3-chlorophenyl)methyl]-4-morpholin-4-ylquinazoline-6-carboxamide

N-[(3-chlorophenyl)methyl]-4-morpholin-4-ylquinazoline-6-carboxamide (PubChem CID 71842360) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-4-morpholin-4-ylquinazoline-6-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-4-morpholin-4-ylquinazoline-6-carboxamide
PubChem CID71842360
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC NameN-[(3-chlorophenyl)methyl]-4-morpholin-4-ylquinazoline-6-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)c1ccc2ncnc(N3CCOCC3)c2c1
InChIInChI=1S/C20H19ClN4O2/c21-16-3-1-2-14(10-16)12-22-20(26)15-4-5-18-17(11-15)19(24-13-23-18)25-6-8-27-9-7-25/h1-5,10-11,13H,6-9,12H2,(H,22,26)
InChIKeyTUNRRMWNPTWTQA-UHFFFAOYSA-N
XLogP3.05
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-4-morpholin-4-ylquinazoline-6-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-4-morpholin-4-ylquinazoline-6-carboxamide (CID 71842360) is N-[(3-chlorophenyl)methyl]-4-morpholin-4-ylquinazoline-6-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-4-morpholin-4-ylquinazoline-6-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-4-morpholin-4-ylquinazoline-6-carboxamide is O=C(NCc1cccc(Cl)c1)c1ccc2ncnc(N3CCOCC3)c2c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-4-morpholin-4-ylquinazoline-6-carboxamide?
The InChIKey is TUNRRMWNPTWTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c21-16-3-1-2-14(10-16)12-22-20(26)15-4-5-18-17(11-15)19(24-13-23-18)25-6-8-27-9-7-25/h1-5,10-11,13H,6-9,12H2,(H,22,26).
What are the key properties of N-[(3-chlorophenyl)methyl]-4-morpholin-4-ylquinazoline-6-carboxamide?
N-[(3-chlorophenyl)methyl]-4-morpholin-4-ylquinazoline-6-carboxamide has a molecular weight of 382.85 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-4-morpholin-4-ylquinazoline-6-carboxamide is sourced from PubChem (CID 71842360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).