6-[(3,4,5-trimethoxybenzoyl)amino]-5,6,7,8-tetrahydroquinazoline-2-carboxamide

C19H22N4O5 — CID 68679492

IUPAC6-[(3,4,5-trimethoxybenzoyl)amino]-5,6,7,8-tetrahydroquinazoline-2-carboxamide
SMILESCOc1cc(C(=O)NC2CCc3nc(C(N)=O)ncc3C2)cc(OC)c1OC
InChIInChI=1S/C19H22N4O5/c1-26-14-7-10(8-15(27-2)16(14)28-3)19(25)22-12-4-5-13-11(6-12)9-21-18(23-13)17(20)24/h7-9,12H,4-6H2,1-3H3,(H2,20,24)(H,22,25)
InChIKeyCNBJHUXVCBDDKI-UHFFFAOYSA-N
MW386.41 g/mol
LogP0.89
Rot. Bonds6

About 6-[(3,4,5-trimethoxybenzoyl)amino]-5,6,7,8-tetrahydroquinazoline-2-carboxamide

6-[(3,4,5-trimethoxybenzoyl)amino]-5,6,7,8-tetrahydroquinazoline-2-carboxamide (PubChem CID 68679492) has the molecular formula C19H22N4O5 and a molecular weight of 386.41 g/mol. Its IUPAC name is 6-[(3,4,5-trimethoxybenzoyl)amino]-5,6,7,8-tetrahydroquinazoline-2-carboxamide.

Molecular Properties

Compound Name6-[(3,4,5-trimethoxybenzoyl)amino]-5,6,7,8-tetrahydroquinazoline-2-carboxamide
PubChem CID68679492
Molecular FormulaC19H22N4O5
Molecular Weight386.41 g/mol
Exact Mass386.16
IUPAC Name6-[(3,4,5-trimethoxybenzoyl)amino]-5,6,7,8-tetrahydroquinazoline-2-carboxamide
SMILESCOc1cc(C(=O)NC2CCc3nc(C(N)=O)ncc3C2)cc(OC)c1OC
InChIInChI=1S/C19H22N4O5/c1-26-14-7-10(8-15(27-2)16(14)28-3)19(25)22-12-4-5-13-11(6-12)9-21-18(23-13)17(20)24/h7-9,12H,4-6H2,1-3H3,(H2,20,24)(H,22,25)
InChIKeyCNBJHUXVCBDDKI-UHFFFAOYSA-N
XLogP0.89
TPSA125.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(3,4,5-trimethoxybenzoyl)amino]-5,6,7,8-tetrahydroquinazoline-2-carboxamide?
The IUPAC name of 6-[(3,4,5-trimethoxybenzoyl)amino]-5,6,7,8-tetrahydroquinazoline-2-carboxamide (CID 68679492) is 6-[(3,4,5-trimethoxybenzoyl)amino]-5,6,7,8-tetrahydroquinazoline-2-carboxamide.
What is the SMILES notation for 6-[(3,4,5-trimethoxybenzoyl)amino]-5,6,7,8-tetrahydroquinazoline-2-carboxamide?
The canonical SMILES for 6-[(3,4,5-trimethoxybenzoyl)amino]-5,6,7,8-tetrahydroquinazoline-2-carboxamide is COc1cc(C(=O)NC2CCc3nc(C(N)=O)ncc3C2)cc(OC)c1OC.
What is the InChIKey of 6-[(3,4,5-trimethoxybenzoyl)amino]-5,6,7,8-tetrahydroquinazoline-2-carboxamide?
The InChIKey is CNBJHUXVCBDDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O5/c1-26-14-7-10(8-15(27-2)16(14)28-3)19(25)22-12-4-5-13-11(6-12)9-21-18(23-13)17(20)24/h7-9,12H,4-6H2,1-3H3,(H2,20,24)(H,22,25).
What are the key properties of 6-[(3,4,5-trimethoxybenzoyl)amino]-5,6,7,8-tetrahydroquinazoline-2-carboxamide?
6-[(3,4,5-trimethoxybenzoyl)amino]-5,6,7,8-tetrahydroquinazoline-2-carboxamide has a molecular weight of 386.41 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,4,5-trimethoxybenzoyl)amino]-5,6,7,8-tetrahydroquinazoline-2-carboxamide is sourced from PubChem (CID 68679492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).