5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-methyl-N-(pyrrolidin-3-ylmethyl)indole-2-carboxamide

C23H22ClN5O3 — CID 90260421

IUPAC5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-methyl-N-(pyrrolidin-3-ylmethyl)indole-2-carboxamide
SMILESCn1c(C(=O)NCC2CCNC2)c(-n2c(=O)[nH]c3ccccc3c2=O)c2cc(Cl)ccc21
InChIInChI=1S/C23H22ClN5O3/c1-28-18-7-6-14(24)10-16(18)19(20(28)21(30)26-12-13-8-9-25-11-13)29-22(31)15-4-2-3-5-17(15)27-23(29)32/h2-7,10,13,25H,8-9,11-12H2,1H3,(H,26,30)(H,27,32)
InChIKeySKNXGAUNFUAVLN-UHFFFAOYSA-N
MW451.91 g/mol
LogP2.16
Rot. Bonds4

About 5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-methyl-N-(pyrrolidin-3-ylmethyl)indole-2-carboxamide

5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-methyl-N-(pyrrolidin-3-ylmethyl)indole-2-carboxamide (PubChem CID 90260421) has the molecular formula C23H22ClN5O3 and a molecular weight of 451.91 g/mol. Its IUPAC name is 5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-methyl-N-(pyrrolidin-3-ylmethyl)indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-methyl-N-(pyrrolidin-3-ylmethyl)indole-2-carboxamide
PubChem CID90260421
Molecular FormulaC23H22ClN5O3
Molecular Weight451.91 g/mol
Exact Mass451.14
IUPAC Name5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-methyl-N-(pyrrolidin-3-ylmethyl)indole-2-carboxamide
SMILESCn1c(C(=O)NCC2CCNC2)c(-n2c(=O)[nH]c3ccccc3c2=O)c2cc(Cl)ccc21
InChIInChI=1S/C23H22ClN5O3/c1-28-18-7-6-14(24)10-16(18)19(20(28)21(30)26-12-13-8-9-25-11-13)29-22(31)15-4-2-3-5-17(15)27-23(29)32/h2-7,10,13,25H,8-9,11-12H2,1H3,(H,26,30)(H,27,32)
InChIKeySKNXGAUNFUAVLN-UHFFFAOYSA-N
XLogP2.16
TPSA100.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.91
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3-aminophenyl)methyl]-5-chloro-N-(cyclopropylmethyl)-3-(2,4-dioxo-1H-quinazolin-3-yl)indole-2-carboxamide
CID 58331402
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CID 58331569
5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)-N-(4-methoxyphenyl)sulfonyl-1-methylindole-2-carboxamide
CID 58331457
N-[2-bromo-4-(trifluoromethyl)phenyl]sulfonyl-5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-methylindole-2-carboxamide
CID 58331590
3-(2,4-dioxo-1H-quinazolin-3-yl)-5-(fluoromethyl)-1-methylindole-2-carboxylic acid
CID 163668638
5-chloro-3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-1-methylindole-2-carboxylic acid
CID 58331500
3,5-dichloro-2-hydroxy-N-(pyrrolidin-3-ylmethyl)benzamide
CID 178146409
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CID 82883859
N-(pyrrolidin-3-ylmethyl)naphthalene-2-carboxamide
CID 80564611
5-chloro-3-methyl-N-(piperidin-3-ylmethyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 119461945
2,4,5-trimethyl-N-(pyrrolidin-3-ylmethyl)benzamide
CID 115271836
2-oxo-N-(pyrrolidin-3-ylmethyl)-1H-pyridine-3-carboxamide
CID 80564171

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-methyl-N-(pyrrolidin-3-ylmethyl)indole-2-carboxamide?
The IUPAC name of 5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-methyl-N-(pyrrolidin-3-ylmethyl)indole-2-carboxamide (CID 90260421) is 5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-methyl-N-(pyrrolidin-3-ylmethyl)indole-2-carboxamide.
What is the SMILES notation for 5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-methyl-N-(pyrrolidin-3-ylmethyl)indole-2-carboxamide?
The canonical SMILES for 5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-methyl-N-(pyrrolidin-3-ylmethyl)indole-2-carboxamide is Cn1c(C(=O)NCC2CCNC2)c(-n2c(=O)[nH]c3ccccc3c2=O)c2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-methyl-N-(pyrrolidin-3-ylmethyl)indole-2-carboxamide?
The InChIKey is SKNXGAUNFUAVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5O3/c1-28-18-7-6-14(24)10-16(18)19(20(28)21(30)26-12-13-8-9-25-11-13)29-22(31)15-4-2-3-5-17(15)27-23(29)32/h2-7,10,13,25H,8-9,11-12H2,1H3,(H,26,30)(H,27,32).
What are the key properties of 5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-methyl-N-(pyrrolidin-3-ylmethyl)indole-2-carboxamide?
5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-methyl-N-(pyrrolidin-3-ylmethyl)indole-2-carboxamide has a molecular weight of 451.91 g/mol, XLogP of 2.16, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(2,4-dioxo-1H-quinazolin-3-yl)-1-methyl-N-(pyrrolidin-3-ylmethyl)indole-2-carboxamide is sourced from PubChem (CID 90260421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).