N-[2-[[3-(cyclopropylmethyl)-2,4-dioxo-1-propan-2-yl-4a,8a-dihydroquinazolin-6-yl]carbamoyl]cyclopentyl]benzamide

C28H34N4O4 — CID 130243509

IUPACN-[2-[[3-(cyclopropylmethyl)-2,4-dioxo-1-propan-2-yl-4a,8a-dihydroquinazolin-6-yl]carbamoyl]cyclopentyl]benzamide
SMILESCC(C)N1C(=O)N(CC2CC2)C(=O)C2C=C(NC(=O)C3CCCC3NC(=O)c3ccccc3)C=CC21
InChIInChI=1S/C28H34N4O4/c1-17(2)32-24-14-13-20(15-22(24)27(35)31(28(32)36)16-18-11-12-18)29-26(34)21-9-6-10-23(21)30-25(33)19-7-4-3-5-8-19/h3-5,7-8,13-15,17-18,21-24H,6,9-12,16H2,1-2H3,(H,29,34)(H,30,33)
InChIKeyQUCMBFBWVRCBQQ-UHFFFAOYSA-N
MW490.60 g/mol
LogP3.22
Rot. Bonds7

About N-[2-[[3-(cyclopropylmethyl)-2,4-dioxo-1-propan-2-yl-4a,8a-dihydroquinazolin-6-yl]carbamoyl]cyclopentyl]benzamide

N-[2-[[3-(cyclopropylmethyl)-2,4-dioxo-1-propan-2-yl-4a,8a-dihydroquinazolin-6-yl]carbamoyl]cyclopentyl]benzamide (PubChem CID 130243509) has the molecular formula C28H34N4O4 and a molecular weight of 490.60 g/mol. Its IUPAC name is N-[2-[[3-(cyclopropylmethyl)-2,4-dioxo-1-propan-2-yl-4a,8a-dihydroquinazolin-6-yl]carbamoyl]cyclopentyl]benzamide.

Molecular Properties

Compound NameN-[2-[[3-(cyclopropylmethyl)-2,4-dioxo-1-propan-2-yl-4a,8a-dihydroquinazolin-6-yl]carbamoyl]cyclopentyl]benzamide
PubChem CID130243509
Molecular FormulaC28H34N4O4
Molecular Weight490.60 g/mol
Exact Mass490.26
IUPAC NameN-[2-[[3-(cyclopropylmethyl)-2,4-dioxo-1-propan-2-yl-4a,8a-dihydroquinazolin-6-yl]carbamoyl]cyclopentyl]benzamide
SMILESCC(C)N1C(=O)N(CC2CC2)C(=O)C2C=C(NC(=O)C3CCCC3NC(=O)c3ccccc3)C=CC21
InChIInChI=1S/C28H34N4O4/c1-17(2)32-24-14-13-20(15-22(24)27(35)31(28(32)36)16-18-11-12-18)29-26(34)21-9-6-10-23(21)30-25(33)19-7-4-3-5-8-19/h3-5,7-8,13-15,17-18,21-24H,6,9-12,16H2,1-2H3,(H,29,34)(H,30,33)
InChIKeyQUCMBFBWVRCBQQ-UHFFFAOYSA-N
XLogP3.22
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.60
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S,2R)-2-[[3-(cyclopropylmethyl)-2,4-dioxo-1-propan-2-ylquinazolin-6-yl]carbamoyl]cyclohexyl]benzamide
CID 130221085
2-benzamidocyclopentane-1-carboxylic acid
CID 64812220
N-[(1S,2R)-2-[[(2S)-1-[4-(cyclopropylmethyl)-5-oxo-1,3,4-oxadiazol-2-yl]-4-methoxy-1-oxobutan-2-yl]carbamoyl]cyclohexyl]benzamide
CID 58760324
N-[(1R,2R)-2-hydroxycyclopentyl]benzamide
CID 36691439
N-[2-(chloromethyl)cyclopentyl]benzamide
CID 106365726
N-[(1R,2S)-2-(2-phenylethylcarbamoyl)cyclopentyl]pyridine-4-carboxamide
CID 91913012
N-[(1S,2R)-2-[[3-cyclopropyl-1-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)-1-oxopropan-2-yl]carbamoyl]cyclohexyl]benzamide
CID 10182802
N-[(1R,2R)-2-bromocyclopentyl]benzamide
CID 135010678
N-[(1S,2R)-2-aminocyclohexyl]benzamide
CID 15151854
N-[(1S,2S)-2-aminocyclohexyl]benzamide
CID 15151853
N-[(1R)-2-methylcyclohexyl]benzamide
CID 137472316
N-(2-benzamidocyclobutyl)benzamide
CID 58037122

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-(cyclopropylmethyl)-2,4-dioxo-1-propan-2-yl-4a,8a-dihydroquinazolin-6-yl]carbamoyl]cyclopentyl]benzamide?
The IUPAC name of N-[2-[[3-(cyclopropylmethyl)-2,4-dioxo-1-propan-2-yl-4a,8a-dihydroquinazolin-6-yl]carbamoyl]cyclopentyl]benzamide (CID 130243509) is N-[2-[[3-(cyclopropylmethyl)-2,4-dioxo-1-propan-2-yl-4a,8a-dihydroquinazolin-6-yl]carbamoyl]cyclopentyl]benzamide.
What is the SMILES notation for N-[2-[[3-(cyclopropylmethyl)-2,4-dioxo-1-propan-2-yl-4a,8a-dihydroquinazolin-6-yl]carbamoyl]cyclopentyl]benzamide?
The canonical SMILES for N-[2-[[3-(cyclopropylmethyl)-2,4-dioxo-1-propan-2-yl-4a,8a-dihydroquinazolin-6-yl]carbamoyl]cyclopentyl]benzamide is CC(C)N1C(=O)N(CC2CC2)C(=O)C2C=C(NC(=O)C3CCCC3NC(=O)c3ccccc3)C=CC21.
What is the InChIKey of N-[2-[[3-(cyclopropylmethyl)-2,4-dioxo-1-propan-2-yl-4a,8a-dihydroquinazolin-6-yl]carbamoyl]cyclopentyl]benzamide?
The InChIKey is QUCMBFBWVRCBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O4/c1-17(2)32-24-14-13-20(15-22(24)27(35)31(28(32)36)16-18-11-12-18)29-26(34)21-9-6-10-23(21)30-25(33)19-7-4-3-5-8-19/h3-5,7-8,13-15,17-18,21-24H,6,9-12,16H2,1-2H3,(H,29,34)(H,30,33).
What are the key properties of N-[2-[[3-(cyclopropylmethyl)-2,4-dioxo-1-propan-2-yl-4a,8a-dihydroquinazolin-6-yl]carbamoyl]cyclopentyl]benzamide?
N-[2-[[3-(cyclopropylmethyl)-2,4-dioxo-1-propan-2-yl-4a,8a-dihydroquinazolin-6-yl]carbamoyl]cyclopentyl]benzamide has a molecular weight of 490.60 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-(cyclopropylmethyl)-2,4-dioxo-1-propan-2-yl-4a,8a-dihydroquinazolin-6-yl]carbamoyl]cyclopentyl]benzamide is sourced from PubChem (CID 130243509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).