N-(2,4-diaminoquinazolin-6-yl)-3,4,5-trimethoxybenzamide

C18H19N5O4 — CID 56690013

IUPACN-(2,4-diaminoquinazolin-6-yl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc3nc(N)nc(N)c3c2)cc(OC)c1OC
InChIInChI=1S/C18H19N5O4/c1-25-13-6-9(7-14(26-2)15(13)27-3)17(24)21-10-4-5-12-11(8-10)16(19)23-18(20)22-12/h4-8H,1-3H3,(H,21,24)(H4,19,20,22,23)
InChIKeyBWJFZBVIJJGBFS-UHFFFAOYSA-N
MW369.38 g/mol
LogP2.07
Rot. Bonds5

About N-(2,4-diaminoquinazolin-6-yl)-3,4,5-trimethoxybenzamide

N-(2,4-diaminoquinazolin-6-yl)-3,4,5-trimethoxybenzamide (PubChem CID 56690013) has the molecular formula C18H19N5O4 and a molecular weight of 369.38 g/mol. Its IUPAC name is N-(2,4-diaminoquinazolin-6-yl)-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-(2,4-diaminoquinazolin-6-yl)-3,4,5-trimethoxybenzamide
PubChem CID56690013
Molecular FormulaC18H19N5O4
Molecular Weight369.38 g/mol
Exact Mass369.14
IUPAC NameN-(2,4-diaminoquinazolin-6-yl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc3nc(N)nc(N)c3c2)cc(OC)c1OC
InChIInChI=1S/C18H19N5O4/c1-25-13-6-9(7-14(26-2)15(13)27-3)17(24)21-10-4-5-12-11(8-10)16(19)23-18(20)22-12/h4-8H,1-3H3,(H,21,24)(H4,19,20,22,23)
InChIKeyBWJFZBVIJJGBFS-UHFFFAOYSA-N
XLogP2.07
TPSA134.61 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]-3,4,5-trimethoxybenzamide
CID 45499103
(3,4,5-trimethoxyphenyl) 2,4-diaminoquinazoline-6-carboxylate
CID 69175927
3,4,5-trimethoxy-N-[2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-benzothiazol-6-yl]benzamide
CID 5213672
N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide
CID 692739
N-[4-(2-amino-2-oxoethoxy)-2-phenylquinolin-6-yl]-3,4,5-trimethoxybenzamide
CID 53113500
3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
CID 4578304
N-(2-chloro-3H-benzimidazol-5-yl)-3,4,5-trimethoxybenzamide
CID 84580880
N-(2-acetamido-1,3-benzothiazol-6-yl)-3,4,5-trimethoxybenzamide
CID 1120822
3,4,5-trimethoxy-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide
CID 46261313
N-(4-benzamido-3-bromophenyl)-3,4,5-trimethoxybenzamide
CID 3117342
1-N,4-N-bis(4-methoxy-2-propan-2-ylquinolin-6-yl)benzene-1,4-dicarboxamide
CID 44534346
N-(1,3-benzothiazol-5-yl)-3,4,5-trimethoxybenzamide
CID 18585505

Frequently Asked Questions

What is the IUPAC name of N-(2,4-diaminoquinazolin-6-yl)-3,4,5-trimethoxybenzamide?
The IUPAC name of N-(2,4-diaminoquinazolin-6-yl)-3,4,5-trimethoxybenzamide (CID 56690013) is N-(2,4-diaminoquinazolin-6-yl)-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-(2,4-diaminoquinazolin-6-yl)-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-(2,4-diaminoquinazolin-6-yl)-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2ccc3nc(N)nc(N)c3c2)cc(OC)c1OC.
What is the InChIKey of N-(2,4-diaminoquinazolin-6-yl)-3,4,5-trimethoxybenzamide?
The InChIKey is BWJFZBVIJJGBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O4/c1-25-13-6-9(7-14(26-2)15(13)27-3)17(24)21-10-4-5-12-11(8-10)16(19)23-18(20)22-12/h4-8H,1-3H3,(H,21,24)(H4,19,20,22,23).
What are the key properties of N-(2,4-diaminoquinazolin-6-yl)-3,4,5-trimethoxybenzamide?
N-(2,4-diaminoquinazolin-6-yl)-3,4,5-trimethoxybenzamide has a molecular weight of 369.38 g/mol, XLogP of 2.07, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-diaminoquinazolin-6-yl)-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 56690013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).