N-[[4-(diethylamino)phenyl]methyl]-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide

C24H33N5O2 — CID 53193997

IUPACN-[[4-(diethylamino)phenyl]methyl]-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
SMILESCCN(CC)c1ccc(CNC(=O)C2CCc3nc(N4CCOCC4)ncc3C2)cc1
InChIInChI=1S/C24H33N5O2/c1-3-28(4-2)21-8-5-18(6-9-21)16-25-23(30)19-7-10-22-20(15-19)17-26-24(27-22)29-11-13-31-14-12-29/h5-6,8-9,17,19H,3-4,7,10-16H2,1-2H3,(H,25,30)
InChIKeyWHJYYZMUTONSHU-UHFFFAOYSA-N
MW423.56 g/mol
LogP2.58
Rot. Bonds7

About N-[[4-(diethylamino)phenyl]methyl]-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide

N-[[4-(diethylamino)phenyl]methyl]-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide (PubChem CID 53193997) has the molecular formula C24H33N5O2 and a molecular weight of 423.56 g/mol. Its IUPAC name is N-[[4-(diethylamino)phenyl]methyl]-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide.

Molecular Properties

Compound NameN-[[4-(diethylamino)phenyl]methyl]-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
PubChem CID53193997
Molecular FormulaC24H33N5O2
Molecular Weight423.56 g/mol
Exact Mass423.26
IUPAC NameN-[[4-(diethylamino)phenyl]methyl]-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
SMILESCCN(CC)c1ccc(CNC(=O)C2CCc3nc(N4CCOCC4)ncc3C2)cc1
InChIInChI=1S/C24H33N5O2/c1-3-28(4-2)21-8-5-18(6-9-21)16-25-23(30)19-7-10-22-20(15-19)17-26-24(27-22)29-11-13-31-14-12-29/h5-6,8-9,17,19H,3-4,7,10-16H2,1-2H3,(H,25,30)
InChIKeyWHJYYZMUTONSHU-UHFFFAOYSA-N
XLogP2.58
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(6R)-N-[[4-(diethylamino)phenyl]methyl]-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 95112148
(6S)-N-[[4-(diethylamino)phenyl]methyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 95112007
N-[(4-chlorophenyl)methyl]-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 71836063
(6S)-2-morpholin-4-yl-N-[(4-propoxyphenyl)methyl]-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 95112147
N-[2-(N-ethylanilino)ethyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 53193902
N-(3-ethylphenyl)-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 71836077
ethyl 4-[(2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carbonyl)amino]benzoate
CID 53193985
(6R)-N-[2-(cyclohexen-1-yl)ethyl]-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 95112093
(6S)-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 129423087
2-piperidin-1-yl-N-propyl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 71836110
N-[(3-ethoxyphenyl)methyl]-2-piperidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 71836090
(6S)-N-butyl-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 129369349

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylamino)phenyl]methyl]-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
The IUPAC name of N-[[4-(diethylamino)phenyl]methyl]-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide (CID 53193997) is N-[[4-(diethylamino)phenyl]methyl]-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide.
What is the SMILES notation for N-[[4-(diethylamino)phenyl]methyl]-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
The canonical SMILES for N-[[4-(diethylamino)phenyl]methyl]-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide is CCN(CC)c1ccc(CNC(=O)C2CCc3nc(N4CCOCC4)ncc3C2)cc1.
What is the InChIKey of N-[[4-(diethylamino)phenyl]methyl]-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
The InChIKey is WHJYYZMUTONSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O2/c1-3-28(4-2)21-8-5-18(6-9-21)16-25-23(30)19-7-10-22-20(15-19)17-26-24(27-22)29-11-13-31-14-12-29/h5-6,8-9,17,19H,3-4,7,10-16H2,1-2H3,(H,25,30).
What are the key properties of N-[[4-(diethylamino)phenyl]methyl]-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
N-[[4-(diethylamino)phenyl]methyl]-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide has a molecular weight of 423.56 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylamino)phenyl]methyl]-2-morpholin-4-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide is sourced from PubChem (CID 53193997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).