2-amino-N-[2-(N-methylanilino)propyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide

C19H25N5O — CID 131943872

IUPAC2-amino-N-[2-(N-methylanilino)propyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide
SMILESCC(CNC(=O)c1nc(N)nc2c1CCCC2)N(C)c1ccccc1
InChIInChI=1S/C19H25N5O/c1-13(24(2)14-8-4-3-5-9-14)12-21-18(25)17-15-10-6-7-11-16(15)22-19(20)23-17/h3-5,8-9,13H,6-7,10-12H2,1-2H3,(H,21,25)(H2,20,22,23)
InChIKeyAMQUJTNHTBTIPD-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.19
Rot. Bonds5

About 2-amino-N-[2-(N-methylanilino)propyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide

2-amino-N-[2-(N-methylanilino)propyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide (PubChem CID 131943872) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-amino-N-[2-(N-methylanilino)propyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[2-(N-methylanilino)propyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide
PubChem CID131943872
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name2-amino-N-[2-(N-methylanilino)propyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide
SMILESCC(CNC(=O)c1nc(N)nc2c1CCCC2)N(C)c1ccccc1
InChIInChI=1S/C19H25N5O/c1-13(24(2)14-8-4-3-5-9-14)12-21-18(25)17-15-10-6-7-11-16(15)22-19(20)23-17/h3-5,8-9,13H,6-7,10-12H2,1-2H3,(H,21,25)(H2,20,22,23)
InChIKeyAMQUJTNHTBTIPD-UHFFFAOYSA-N
XLogP2.19
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide
CID 131920115
2-amino-N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide
CID 131933975
4-chloro-N-[2-(N-methylanilino)propyl]pyridine-2-carboxamide
CID 86990770
2-amino-N-[1-(cyclohexen-1-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide
CID 131902997
N-[(2R)-2-(N-methylanilino)propyl]cyclopropanecarboxamide
CID 94119244
2-amino-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-5,6,7,8-tetrahydroquinazoline-4-carboxamide
CID 131922960
2-methoxy-N-[(2R)-2-(N-methylanilino)propyl]pyridine-3-carboxamide
CID 51725711
1-N-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)-2-N-methyl-2-N-phenylpropane-1,2-diamine
CID 167797981
7-fluoro-2,3-dimethyl-N-[(2R)-2-(N-methylanilino)propyl]quinoxaline-5-carboxamide
CID 51964973
N-[2-(N-methylanilino)propyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 55791148
4-(cyclopropylcarbamoylamino)-N-[2-(N-methylanilino)propyl]benzamide
CID 47056970
2-amino-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide
CID 77089489

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(N-methylanilino)propyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide?
The IUPAC name of 2-amino-N-[2-(N-methylanilino)propyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide (CID 131943872) is 2-amino-N-[2-(N-methylanilino)propyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide.
What is the SMILES notation for 2-amino-N-[2-(N-methylanilino)propyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide?
The canonical SMILES for 2-amino-N-[2-(N-methylanilino)propyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide is CC(CNC(=O)c1nc(N)nc2c1CCCC2)N(C)c1ccccc1.
What is the InChIKey of 2-amino-N-[2-(N-methylanilino)propyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide?
The InChIKey is AMQUJTNHTBTIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-13(24(2)14-8-4-3-5-9-14)12-21-18(25)17-15-10-6-7-11-16(15)22-19(20)23-17/h3-5,8-9,13H,6-7,10-12H2,1-2H3,(H,21,25)(H2,20,22,23).
What are the key properties of 2-amino-N-[2-(N-methylanilino)propyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide?
2-amino-N-[2-(N-methylanilino)propyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(N-methylanilino)propyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide is sourced from PubChem (CID 131943872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).