1-[2-methoxy-3-(propan-2-ylamino)quinoxalin-6-yl]-3-phenylurea

C19H21N5O2 — CID 86062344

IUPAC1-[2-methoxy-3-(propan-2-ylamino)quinoxalin-6-yl]-3-phenylurea
SMILESCOc1nc2ccc(NC(=O)Nc3ccccc3)cc2nc1NC(C)C
InChIInChI=1S/C19H21N5O2/c1-12(2)20-17-18(26-3)24-15-10-9-14(11-16(15)23-17)22-19(25)21-13-7-5-4-6-8-13/h4-12H,1-3H3,(H,20,23)(H2,21,22,25)
InChIKeyMKAUKJYSUMSBIT-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.10
Rot. Bonds5

About 1-[2-methoxy-3-(propan-2-ylamino)quinoxalin-6-yl]-3-phenylurea

1-[2-methoxy-3-(propan-2-ylamino)quinoxalin-6-yl]-3-phenylurea (PubChem CID 86062344) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 1-[2-methoxy-3-(propan-2-ylamino)quinoxalin-6-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[2-methoxy-3-(propan-2-ylamino)quinoxalin-6-yl]-3-phenylurea
PubChem CID86062344
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name1-[2-methoxy-3-(propan-2-ylamino)quinoxalin-6-yl]-3-phenylurea
SMILESCOc1nc2ccc(NC(=O)Nc3ccccc3)cc2nc1NC(C)C
InChIInChI=1S/C19H21N5O2/c1-12(2)20-17-18(26-3)24-15-10-9-14(11-16(15)23-17)22-19(25)21-13-7-5-4-6-8-13/h4-12H,1-3H3,(H,20,23)(H2,21,22,25)
InChIKeyMKAUKJYSUMSBIT-UHFFFAOYSA-N
XLogP4.10
TPSA88.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(7-fluoro-3-methoxyquinoxalin-2-yl)carbamic acid
CID 123860282
(3,7-dimethoxyquinoxalin-2-yl)carbamic acid
CID 90770827
1-phenyl-3-[3-(phenylcarbamoylamino)phenazin-2-yl]urea
CID 102390231
4-[(3-methoxyphenyl)carbamoylamino]-N-propan-2-ylbenzamide
CID 17180581
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
1-(4-methoxyquinolin-2-yl)-3-phenylurea
CID 134098367
3-[(4-methoxyphenyl)carbamoylamino]benzamide
CID 572736
1-anilino-3-(7,8-dimethoxyphenazin-2-yl)thiourea
CID 126000432
1-(4-methoxyphenyl)-3-(3-quinoxalin-2-ylphenyl)urea
CID 1485415
3-(3-methoxyquinoxalin-2-yl)-N-phenylpropanamide
CID 6460420
1-[3-(dimethylamino)phenyl]-3-(2,3-dimethylquinoxalin-6-yl)urea
CID 108885626
1-tert-butyl-3-(2,3-diphenylquinoxalin-6-yl)urea
CID 71295974

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-3-(propan-2-ylamino)quinoxalin-6-yl]-3-phenylurea?
The IUPAC name of 1-[2-methoxy-3-(propan-2-ylamino)quinoxalin-6-yl]-3-phenylurea (CID 86062344) is 1-[2-methoxy-3-(propan-2-ylamino)quinoxalin-6-yl]-3-phenylurea.
What is the SMILES notation for 1-[2-methoxy-3-(propan-2-ylamino)quinoxalin-6-yl]-3-phenylurea?
The canonical SMILES for 1-[2-methoxy-3-(propan-2-ylamino)quinoxalin-6-yl]-3-phenylurea is COc1nc2ccc(NC(=O)Nc3ccccc3)cc2nc1NC(C)C.
What is the InChIKey of 1-[2-methoxy-3-(propan-2-ylamino)quinoxalin-6-yl]-3-phenylurea?
The InChIKey is MKAUKJYSUMSBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-12(2)20-17-18(26-3)24-15-10-9-14(11-16(15)23-17)22-19(25)21-13-7-5-4-6-8-13/h4-12H,1-3H3,(H,20,23)(H2,21,22,25).
What are the key properties of 1-[2-methoxy-3-(propan-2-ylamino)quinoxalin-6-yl]-3-phenylurea?
1-[2-methoxy-3-(propan-2-ylamino)quinoxalin-6-yl]-3-phenylurea has a molecular weight of 351.41 g/mol, XLogP of 4.10, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-3-(propan-2-ylamino)quinoxalin-6-yl]-3-phenylurea is sourced from PubChem (CID 86062344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).