N-(3-fluoro-4-methoxyphenyl)-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide

C20H23FN4O3 — CID 53193974

IUPACN-(3-fluoro-4-methoxyphenyl)-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
SMILESCOc1ccc(NC(=O)C2CCc3nc(N4CCOCC4)ncc3C2)cc1F
InChIInChI=1S/C20H23FN4O3/c1-27-18-5-3-15(11-16(18)21)23-19(26)13-2-4-17-14(10-13)12-22-20(24-17)25-6-8-28-9-7-25/h3,5,11-13H,2,4,6-10H2,1H3,(H,23,26)
InChIKeyIWEAEBACYCJZRY-UHFFFAOYSA-N
MW386.43 g/mol
LogP2.20
Rot. Bonds4

About N-(3-fluoro-4-methoxyphenyl)-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide

N-(3-fluoro-4-methoxyphenyl)-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide (PubChem CID 53193974) has the molecular formula C20H23FN4O3 and a molecular weight of 386.43 g/mol. Its IUPAC name is N-(3-fluoro-4-methoxyphenyl)-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methoxyphenyl)-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
PubChem CID53193974
Molecular FormulaC20H23FN4O3
Molecular Weight386.43 g/mol
Exact Mass386.18
IUPAC NameN-(3-fluoro-4-methoxyphenyl)-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
SMILESCOc1ccc(NC(=O)C2CCc3nc(N4CCOCC4)ncc3C2)cc1F
InChIInChI=1S/C20H23FN4O3/c1-27-18-5-3-15(11-16(18)21)23-19(26)13-2-4-17-14(10-13)12-22-20(24-17)25-6-8-28-9-7-25/h3,5,11-13H,2,4,6-10H2,1H3,(H,23,26)
InChIKeyIWEAEBACYCJZRY-UHFFFAOYSA-N
XLogP2.20
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methoxyphenyl)-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
The IUPAC name of N-(3-fluoro-4-methoxyphenyl)-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide (CID 53193974) is N-(3-fluoro-4-methoxyphenyl)-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methoxyphenyl)-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methoxyphenyl)-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide is COc1ccc(NC(=O)C2CCc3nc(N4CCOCC4)ncc3C2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methoxyphenyl)-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
The InChIKey is IWEAEBACYCJZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O3/c1-27-18-5-3-15(11-16(18)21)23-19(26)13-2-4-17-14(10-13)12-22-20(24-17)25-6-8-28-9-7-25/h3,5,11-13H,2,4,6-10H2,1H3,(H,23,26).
What are the key properties of N-(3-fluoro-4-methoxyphenyl)-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
N-(3-fluoro-4-methoxyphenyl)-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide has a molecular weight of 386.43 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methoxyphenyl)-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide is sourced from PubChem (CID 53193974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).